methyl (2S)-2-(diphenylphosphorylamino)propanoate

C16H18NO3P — CID 91978644

IUPACmethyl (2S)-2-(diphenylphosphorylamino)propanoate
SMILESCOC(=O)[C@H](C)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO3P/c1-13(16(18)20-2)17-21(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyBQRMWUPDHJIPSZ-ZDUSSCGKSA-N
MW303.30 g/mol
LogP2.07
Rot. Bonds5

About methyl (2S)-2-(diphenylphosphorylamino)propanoate

methyl (2S)-2-(diphenylphosphorylamino)propanoate (PubChem CID 91978644) has the molecular formula C16H18NO3P and a molecular weight of 303.30 g/mol. Its IUPAC name is methyl (2S)-2-(diphenylphosphorylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(diphenylphosphorylamino)propanoate
PubChem CID91978644
Molecular FormulaC16H18NO3P
Molecular Weight303.30 g/mol
Exact Mass303.10
IUPAC Namemethyl (2S)-2-(diphenylphosphorylamino)propanoate
SMILESCOC(=O)[C@H](C)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO3P/c1-13(16(18)20-2)17-21(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyBQRMWUPDHJIPSZ-ZDUSSCGKSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.07
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

2-ethylbutyl (2S)-2-[[(2,3,4,5,6-pentafluorophenyl)-phenylphosphoryl]amino]propanoate
CID 176087824
Ethyl 4-(diphenylphosphoryl)isovalinate
CID 3738247
methyl (2S)-2-(diphenylphosphanylamino)propanoate
CID 101151632
Methyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
CID 101848661
methyl (2S)-2-[bis(diphenylphosphoryl)amino]propanoate
CID 122404471
2-[bromo(triphenyl)-lambda5-phosphanyl]ethyl (2S)-2-aminopropanoate
CID 134976921
methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylstannylphenyl)-lambda5-phosphanylidene]carbamate
CID 135064190
methyl N-[diphenyl-(propan-2-ylamino)-lambda5-phosphanylidene]carbamate
CID 135086992
methyl (2S)-2-[[ethoxy(phenyl)phosphoryl]amino]propanoate
CID 176436823
2-[(2S)-2-aminopropanoyl]oxyethyl-triphenylphosphanium bromide
CID 176444251
Methyl 2-[diphenylphosphinylamino]-2-isobutylacetate
CID 625386
n-((r)-Methylphenylphosphinyl)-d-leucine methyl ester
CID 10636698

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(diphenylphosphorylamino)propanoate?
The IUPAC name of methyl (2S)-2-(diphenylphosphorylamino)propanoate (CID 91978644) is methyl (2S)-2-(diphenylphosphorylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(diphenylphosphorylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(diphenylphosphorylamino)propanoate is COC(=O)[C@H](C)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-(diphenylphosphorylamino)propanoate?
The InChIKey is BQRMWUPDHJIPSZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18NO3P/c1-13(16(18)20-2)17-21(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-(diphenylphosphorylamino)propanoate?
methyl (2S)-2-(diphenylphosphorylamino)propanoate has a molecular weight of 303.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(diphenylphosphorylamino)propanoate is sourced from PubChem (CID 91978644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).