methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid

C14H29N4O6P — CID 88759256

IUPACmethyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid
SMILESCCC[C@H](NC(=O)CNC)C(=O)N[C@@H](CCC)C(=O)NOP(C)(=O)O
InChIInChI=1S/C14H29N4O6P/c1-5-7-10(16-12(19)9-15-3)13(20)17-11(8-6-2)14(21)18-24-25(4,22)23/h10-11,15H,5-9H2,1-4H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)/t10-,11-/m0/s1
InChIKeyOJSHCQUNOZHEIL-QWRGUYRKSA-N
MW380.38 g/mol
LogP-0.36
Rot. Bonds12

About methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid

methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid (PubChem CID 88759256) has the molecular formula C14H29N4O6P and a molecular weight of 380.38 g/mol. Its IUPAC name is methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid.

Molecular Properties

Compound Namemethyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid
PubChem CID88759256
Molecular FormulaC14H29N4O6P
Molecular Weight380.38 g/mol
Exact Mass380.18
IUPAC Namemethyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid
SMILESCCC[C@H](NC(=O)CNC)C(=O)N[C@@H](CCC)C(=O)NOP(C)(=O)O
InChIInChI=1S/C14H29N4O6P/c1-5-7-10(16-12(19)9-15-3)13(20)17-11(8-6-2)14(21)18-24-25(4,22)23/h10-11,15H,5-9H2,1-4H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)/t10-,11-/m0/s1
InChIKeyOJSHCQUNOZHEIL-QWRGUYRKSA-N
XLogP-0.36
TPSA145.86 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic 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

methyl (2S)-2-[[(4S)-5-[[(2S)-1-[[(2R)-1-methoxy-1-oxopentan-2-yl]amino]-5-[[(2S)-1-methoxy-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-5-oxopentanoyl]amino]pentanoate
CID 59054841
CID 168915455
CID 168915455
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride
CID 155820102
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
CID 119816540
4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate
CID 91726640
2-methyl-N-propan-2-ylpentanamide
CID 4628268
5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid
CID 177369489
6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide
CID 170721461
2-[[2-(methylamino)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 61157970

Frequently Asked Questions

What is the IUPAC name of methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid?
The IUPAC name of methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid (CID 88759256) is methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid.
What is the SMILES notation for methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid?
The canonical SMILES for methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid is CCC[C@H](NC(=O)CNC)C(=O)N[C@@H](CCC)C(=O)NOP(C)(=O)O.
What is the InChIKey of methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid?
The InChIKey is OJSHCQUNOZHEIL-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H29N4O6P/c1-5-7-10(16-12(19)9-15-3)13(20)17-11(8-6-2)14(21)18-24-25(4,22)23/h10-11,15H,5-9H2,1-4H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)/t10-,11-/m0/s1.
What are the key properties of methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid?
methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid has a molecular weight of 380.38 g/mol, XLogP of -0.36, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(2S)-2-[[(2S)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]oxyphosphinic acid is sourced from PubChem (CID 88759256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).