methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate

C10H12NO3P — CID 174369868

IUPACmethyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NP=O
InChIInChI=1S/C10H12NO3P/c1-14-10(12)9(11-15-13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyKMJVUZUGZAYSPG-VIFPVBQESA-N
MW225.18 g/mol
LogP1.57
Rot. Bonds5

About methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate

methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate (PubChem CID 174369868) has the molecular formula C10H12NO3P and a molecular weight of 225.18 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate
PubChem CID174369868
Molecular FormulaC10H12NO3P
Molecular Weight225.18 g/mol
Exact Mass225.06
IUPAC Namemethyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NP=O
InChIInChI=1S/C10H12NO3P/c1-14-10(12)9(11-15-13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyKMJVUZUGZAYSPG-VIFPVBQESA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-formamido-3-phenylpropanoate
CID 595529
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl (2S)-2-[[hydroxy(methyl)phosphinothioyl]amino]-3-phenylpropanoate
CID 11778055
methyl (2S)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-phenylpropanoate
CID 95401153

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate (CID 174369868) is methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate is COC(=O)[C@H](Cc1ccccc1)NP=O.
What is the InChIKey of methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate?
The InChIKey is KMJVUZUGZAYSPG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12NO3P/c1-14-10(12)9(11-15-13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)/t9-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate?
methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate has a molecular weight of 225.18 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate is sourced from PubChem (CID 174369868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).