(2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid

C22H31N5O6 — CID 67651063

IUPAC(2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid
SMILESCC(NC(=O)c1ccc(C=NN)cn1)C(=O)N1CCC(O[C@H](C(=O)O)C2CCOCC2)CC1
InChIInChI=1S/C22H31N5O6/c1-14(26-20(28)18-3-2-15(12-24-18)13-25-23)21(29)27-8-4-17(5-9-27)33-19(22(30)31)16-6-10-32-11-7-16/h2-3,12-14,16-17,19H,4-11,23H2,1H3,(H,26,28)(H,30,31)/t14?,19-/m0/s1
InChIKeyYGVWQDPGGCMLHP-PKDNWHCCSA-N
MW461.52 g/mol
LogP0.38
Rot. Bonds8

About (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid

(2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid (PubChem CID 67651063) has the molecular formula C22H31N5O6 and a molecular weight of 461.52 g/mol. Its IUPAC name is (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid
PubChem CID67651063
Molecular FormulaC22H31N5O6
Molecular Weight461.52 g/mol
Exact Mass461.23
IUPAC Name(2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid
SMILESCC(NC(=O)c1ccc(C=NN)cn1)C(=O)N1CCC(O[C@H](C(=O)O)C2CCOCC2)CC1
InChIInChI=1S/C22H31N5O6/c1-14(26-20(28)18-3-2-15(12-24-18)13-25-23)21(29)27-8-4-17(5-9-27)33-19(22(30)31)16-6-10-32-11-7-16/h2-3,12-14,16-17,19H,4-11,23H2,1H3,(H,26,28)(H,30,31)/t14?,19-/m0/s1
InChIKeyYGVWQDPGGCMLHP-PKDNWHCCSA-N
XLogP0.38
TPSA156.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)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-[1-[2-[[4-[(Z)-aminooxyiminomethyl]benzoyl]amino]propanoyl]piperidin-4-yl]-2-ethoxyacetic acid
CID 174427796
2-[1-[(2S)-2-[[5-(diazenylmethyl)pyridine-2-carbonyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 54419296
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 81315636
2-[1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxy-3,3-dimethylbutanoic acid
CID 167019915
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874
2-[1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 18538416
2-[1-[2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 85088263
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
4-[[5-(1-aminoethoxycarbonyliminomethyl)pyridine-2-carbonyl]amino]-5-(4-methoxyphenyl)-3-oxo-2-piperidin-4-yloxypentanoic acid
CID 67650785
N-butan-2-yl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109181400
2-anilino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 115673259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid?
The IUPAC name of (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid (CID 67651063) is (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid.
What is the SMILES notation for (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid?
The canonical SMILES for (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid is CC(NC(=O)c1ccc(C=NN)cn1)C(=O)N1CCC(O[C@H](C(=O)O)C2CCOCC2)CC1.
What is the InChIKey of (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid?
The InChIKey is YGVWQDPGGCMLHP-PKDNWHCCSA-N. The full InChI is InChI=1S/C22H31N5O6/c1-14(26-20(28)18-3-2-15(12-24-18)13-25-23)21(29)27-8-4-17(5-9-27)33-19(22(30)31)16-6-10-32-11-7-16/h2-3,12-14,16-17,19H,4-11,23H2,1H3,(H,26,28)(H,30,31)/t14?,19-/m0/s1.
What are the key properties of (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid?
(2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid has a molecular weight of 461.52 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[2-[(5-methanehydrazonoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxy-2-(oxan-4-yl)acetic acid is sourced from PubChem (CID 67651063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).