1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid

C5H13N2O3P — CID 22811599

IUPAC1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid
SMILESCC(NC(=O)[C@@H](C)N)P(O)O
InChIInChI=1S/C5H13N2O3P/c1-3(6)5(8)7-4(2)11(9)10/h3-4,9-10H,6H2,1-2H3,(H,7,8)/t3-,4?/m1/s1
InChIKeyWPWZOWOBVRZORA-SYPWQXSBSA-N
MW180.14 g/mol
LogP-0.91
Rot. Bonds3

About 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid

1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid (PubChem CID 22811599) has the molecular formula C5H13N2O3P and a molecular weight of 180.14 g/mol. Its IUPAC name is 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid.

Molecular Properties

Compound Name1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid
PubChem CID22811599
Molecular FormulaC5H13N2O3P
Molecular Weight180.14 g/mol
Exact Mass180.07
IUPAC Name1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid
SMILESCC(NC(=O)[C@@H](C)N)P(O)O
InChIInChI=1S/C5H13N2O3P/c1-3(6)5(8)7-4(2)11(9)10/h3-4,9-10H,6H2,1-2H3,(H,7,8)/t3-,4?/m1/s1
InChIKeyWPWZOWOBVRZORA-SYPWQXSBSA-N
XLogP-0.91
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous 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

(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
2-amino-N-but-3-yn-2-ylpropanamide
CID 114417070

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid?
The IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid (CID 22811599) is 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid.
What is the SMILES notation for 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid?
The canonical SMILES for 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid is CC(NC(=O)[C@@H](C)N)P(O)O.
What is the InChIKey of 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid?
The InChIKey is WPWZOWOBVRZORA-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H13N2O3P/c1-3(6)5(8)7-4(2)11(9)10/h3-4,9-10H,6H2,1-2H3,(H,7,8)/t3-,4?/m1/s1.
What are the key properties of 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid?
1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid has a molecular weight of 180.14 g/mol, XLogP of -0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid is sourced from PubChem (CID 22811599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).