(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid

C12H16NO5P — CID 141452800

IUPAC(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NP(O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16NO5P/c14-11(15)7-6-10(12(16)17)13-19(18)8-9-4-2-1-3-5-9/h1-5,10,13,18H,6-8H2,(H,14,15)(H,16,17)/t10-,19?/m0/s1
InChIKeyJMWFZSDRLGPPFA-IHBJSSOOSA-N
MW285.24 g/mol
LogP1.40
Rot. Bonds8

About (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid

(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid (PubChem CID 141452800) has the molecular formula C12H16NO5P and a molecular weight of 285.24 g/mol. Its IUPAC name is (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid
PubChem CID141452800
Molecular FormulaC12H16NO5P
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NP(O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16NO5P/c14-11(15)7-6-10(12(16)17)13-19(18)8-9-4-2-1-3-5-9/h1-5,10,13,18H,6-8H2,(H,14,15)(H,16,17)/t10-,19?/m0/s1
InChIKeyJMWFZSDRLGPPFA-IHBJSSOOSA-N
XLogP1.40
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic 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-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid
CID 175163363
(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid
CID 141452826
2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid
CID 175505324
2-(2-phenylethylsulfonylamino)pentanedioic acid
CID 60830006
(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302
2-[[(2-carboxy-4-phenylbutyl)-hydroxyphosphanyl]methyl]pentanedioic acid
CID 139457437
(2S)-2-[(3-oxo-3-phenylmethoxypropyl)amino]pentanedioic acid
CID 67577410
(2R)-2-[(2-acetamido-3-phenylpropanoyl)amino]pentanedioic acid
CID 173435460
2-(phenylmethoxycarbonylaminocarbamoylamino)pentanedioic acid
CID 78046840
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 22697886
4-amino-5-[[1-[[4-carboxy-1-[(1-carboxy-2-phenylethyl)amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 22697894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid (CID 141452800) is (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid is O=C(O)CC[C@H](NP(O)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid?
The InChIKey is JMWFZSDRLGPPFA-IHBJSSOOSA-N. The full InChI is InChI=1S/C12H16NO5P/c14-11(15)7-6-10(12(16)17)13-19(18)8-9-4-2-1-3-5-9/h1-5,10,13,18H,6-8H2,(H,14,15)(H,16,17)/t10-,19?/m0/s1.
What are the key properties of (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid?
(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid has a molecular weight of 285.24 g/mol, XLogP of 1.40, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid is sourced from PubChem (CID 141452800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).