manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid

C22H29MnN3O8-2 — CID 155766838

IUPACmanganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid
SMILES[CH2-]OC(=O)CN(CC(=O)O)C1CCCC[C@@H]1N(CC(=O)O[CH2-])Cc1ccc(C(=O)OC)cn1.[Mn]
InChIInChI=1S/C22H29N3O8.Mn/c1-31-20(28)13-24(11-16-9-8-15(10-23-16)22(30)33-3)17-6-4-5-7-18(17)25(12-19(26)27)14-21(29)32-2;/h8-10,17-18H,1-2,4-7,11-14H2,3H3,(H,26,27);/q-2;/t17-,18?;/m0./s1
InChIKeyWCSPWHAVXHEABK-OQICONIUSA-N
MW518.43 g/mol
LogP1.04
Rot. Bonds11

About manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid

manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid (PubChem CID 155766838) has the molecular formula C22H29MnN3O8-2 and a molecular weight of 518.43 g/mol. Its IUPAC name is manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Namemanganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid
PubChem CID155766838
Molecular FormulaC22H29MnN3O8-2
Molecular Weight518.43 g/mol
Exact Mass518.13
IUPAC Namemanganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid
SMILES[CH2-]OC(=O)CN(CC(=O)O)C1CCCC[C@@H]1N(CC(=O)O[CH2-])Cc1ccc(C(=O)OC)cn1.[Mn]
InChIInChI=1S/C22H29N3O8.Mn/c1-31-20(28)13-24(11-16-9-8-15(10-23-16)22(30)33-3)17-6-4-5-7-18(17)25(12-19(26)27)14-21(29)32-2;/h8-10,17-18H,1-2,4-7,11-14H2,3H3,(H,26,27);/q-2;/t17-,18?;/m0./s1
InChIKeyWCSPWHAVXHEABK-OQICONIUSA-N
XLogP1.04
TPSA135.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]acetic acid
CID 126572364
2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]acetic acid
CID 126596541
2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]acetic acid
CID 126596720
2-[[(2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]acetic acid
CID 126597242
6-[[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]methyl]pyridine-3-carboxylic acid;manganese(2+)
CID 145758506
2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]acetic acid;manganese(2+)
CID 145758526
6-[[[(1S)-2-[carboxymethyl-(2-methanidyloxy-2-oxoethyl)amino]cyclohexyl]-(2-methanidyloxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylic acid;manganese
CID 155766806
2-[[(2S)-2-[[5-(hydroxymethyl)-2-pyridinyl]methyl-(2-methanidyloxy-2-oxoethyl)amino]cyclohexyl]-(2-methanidyloxy-2-oxoethyl)amino]acetic acid;manganese
CID 155766829
2-[Bis[2-(5-methoxycarbonylpyridine-2-carbonyl)azanidylethyl]amino]ethyl-(5-methylpyridine-2-carbonyl)azanide;iron(4+)
CID 167335531
methyl 6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pyridine-3-carboxylate
CID 80146717
Methyl 6-[[bis[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate;methylsulfinylmethane;ruthenium(2+);chloride;hexafluorophosphate;hydrate
CID 139180242
2-[[(2S)-2-[(5-methoxycarbonyl-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]cyclohexyl]-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 155766839

Frequently Asked Questions

What is the IUPAC name of manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid?
The IUPAC name of manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid (CID 155766838) is manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid is [CH2-]OC(=O)CN(CC(=O)O)C1CCCC[C@@H]1N(CC(=O)O[CH2-])Cc1ccc(C(=O)OC)cn1.[Mn].
What is the InChIKey of manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid?
The InChIKey is WCSPWHAVXHEABK-OQICONIUSA-N. The full InChI is InChI=1S/C22H29N3O8.Mn/c1-31-20(28)13-24(11-16-9-8-15(10-23-16)22(30)33-3)17-6-4-5-7-18(17)25(12-19(26)27)14-21(29)32-2;/h8-10,17-18H,1-2,4-7,11-14H2,3H3,(H,26,27);/q-2;/t17-,18?;/m0./s1.
What are the key properties of manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid?
manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid has a molecular weight of 518.43 g/mol, XLogP of 1.04, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;2-[(2-methanidyloxy-2-oxoethyl)-[(2S)-2-[(2-methanidyloxy-2-oxoethyl)-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 155766838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).