(2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid

C6H10NO5P — CID 57011297

IUPAC(2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)CP)C(=O)O
InChIInChI=1S/C6H10NO5P/c8-4(2-13)7-3(6(11)12)1-5(9)10/h3H,1-2,13H2,(H,7,8)(H,9,10)(H,11,12)/t3-/m0/s1
InChIKeyCQYLMGRWSSMEHA-VKHMYHEASA-N
MW207.12 g/mol
LogP-1.09
Rot. Bonds5

About (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid

(2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid (PubChem CID 57011297) has the molecular formula C6H10NO5P and a molecular weight of 207.12 g/mol. Its IUPAC name is (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid
PubChem CID57011297
Molecular FormulaC6H10NO5P
Molecular Weight207.12 g/mol
Exact Mass207.03
IUPAC Name(2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)CP)C(=O)O
InChIInChI=1S/C6H10NO5P/c8-4(2-13)7-3(6(11)12)1-5(9)10/h3H,1-2,13H2,(H,7,8)(H,9,10)(H,11,12)/t3-/m0/s1
InChIKeyCQYLMGRWSSMEHA-VKHMYHEASA-N
XLogP-1.09
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2-phosphanylacetyl)amino]butanedioic 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-(4-carboxybutanoylamino)butanedioic acid
CID 87693716
2-(butanoylamino)butanedioic acid;zinc
CID 174973870
(2S)-2-(3,4,4-trifluorobut-3-enoylamino)butanedioic acid
CID 131848287
sodium;2-(butanoylamino)butanedioic acid;hydride
CID 174974631
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2S)-2-[[(3S)-3-acetamido-4-[[(1S)-1,2-dicarboxyethyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 101180050
2-[(2-cyclobutylacetyl)amino]butanedioic acid
CID 103162089
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
(2S)-2-(dithiocarboxyamino)butanedioic acid
CID 3033625
2-[(3-oxo-3-phenylpropanoyl)amino]butanedioic acid
CID 110465917
disodium;(2S)-2-(hexanoylamino)butanedioic acid;hydride
CID 174918684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid?
The IUPAC name of (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid (CID 57011297) is (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid.
What is the SMILES notation for (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid?
The canonical SMILES for (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid is O=C(O)C[C@H](NC(=O)CP)C(=O)O.
What is the InChIKey of (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid?
The InChIKey is CQYLMGRWSSMEHA-VKHMYHEASA-N. The full InChI is InChI=1S/C6H10NO5P/c8-4(2-13)7-3(6(11)12)1-5(9)10/h3H,1-2,13H2,(H,7,8)(H,9,10)(H,11,12)/t3-/m0/s1.
What are the key properties of (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid?
(2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid has a molecular weight of 207.12 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-phosphanylacetyl)amino]butanedioic acid is sourced from PubChem (CID 57011297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).