[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid

C5H13N2O4P — CID 131888538

IUPAC[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
SMILES[2H][C@@](C)(NC(=O)[C@H](C)N)P(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1/i4D
InChIKeyBHAYDBSYOBONRV-GWSSWEKMSA-N
MW197.15 g/mol
LogP-1.03
Rot. Bonds3

About [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid

[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid (PubChem CID 131888538) has the molecular formula C5H13N2O4P and a molecular weight of 197.15 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
PubChem CID131888538
Molecular FormulaC5H13N2O4P
Molecular Weight197.15 g/mol
Exact Mass197.07
IUPAC Name[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
SMILES[2H][C@@](C)(NC(=O)[C@H](C)N)P(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1/i4D
InChIKeyBHAYDBSYOBONRV-GWSSWEKMSA-N
XLogP-1.03
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic 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

1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54524014
[1-(2-aminopropanoylamino)-2,2,2-trifluoroethyl]phosphonic acid
CID 85321325
1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
CID 11820419
[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
CID 15351769
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid
CID 151888138
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
1-[[(2R)-2-aminopropanoyl]amino]ethylphosphonous acid
CID 22811599
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid (CID 131888538) is [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid is [2H][C@@](C)(NC(=O)[C@H](C)N)P(=O)(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid?
The InChIKey is BHAYDBSYOBONRV-GWSSWEKMSA-N. The full InChI is InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1/i4D.
What are the key properties of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid?
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid has a molecular weight of 197.15 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid is sourced from PubChem (CID 131888538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).