(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid

C10H18N3O7P — CID 57227647

IUPAC(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNP(=O)(O)O)C(=O)O
InChIInChI=1S/C10H18N3O7P/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11-21(18,19)20/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)(H3,11,18,19,20)/t6-,7-/m0/s1
InChIKeyPEVUXUMNHRXFCW-BQBZGAKWSA-N
MW323.24 g/mol
LogP-1.75
Rot. Bonds6

About (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid

(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 57227647) has the molecular formula C10H18N3O7P and a molecular weight of 323.24 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID57227647
Molecular FormulaC10H18N3O7P
Molecular Weight323.24 g/mol
Exact Mass323.09
IUPAC Name(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNP(=O)(O)O)C(=O)O
InChIInChI=1S/C10H18N3O7P/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11-21(18,19)20/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)(H3,11,18,19,20)/t6-,7-/m0/s1
InChIKeyPEVUXUMNHRXFCW-BQBZGAKWSA-N
XLogP-1.75
TPSA156.27 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 5-1.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic 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-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 18347853
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
(2S)-2-[[(2R)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 129395985
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18490439
(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119369844
(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 7276370
3-amino-4-[[1-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246786
2-[2-[[1-(2-amino-3-sulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]propanoic acid
CID 18260072
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
CID 45380679
(2S,3S)-2-[[(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 67058654
2-[[1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18487785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid (CID 57227647) is (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNP(=O)(O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is PEVUXUMNHRXFCW-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H18N3O7P/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11-21(18,19)20/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)(H3,11,18,19,20)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 323.24 g/mol, XLogP of -1.75, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 57227647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).