(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide

C13H20N3O2P — CID 118910669

IUPAC(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide
SMILESCN[C@@H](CP)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N3O2P/c1-15-11(8-19)13(18)16-10(12(14)17)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8,19H2,1H3,(H2,14,17)(H,16,18)/t10-,11-/m0/s1
InChIKeyABILIFUNFXWMSB-QWRGUYRKSA-N
MW281.30 g/mol
LogP-0.34
Rot. Bonds7

About (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide

(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide (PubChem CID 118910669) has the molecular formula C13H20N3O2P and a molecular weight of 281.30 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide
PubChem CID118910669
Molecular FormulaC13H20N3O2P
Molecular Weight281.30 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide
SMILESCN[C@@H](CP)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N3O2P/c1-15-11(8-19)13(18)16-10(12(14)17)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8,19H2,1H3,(H2,14,17)(H,16,18)/t10-,11-/m0/s1
InChIKeyABILIFUNFXWMSB-QWRGUYRKSA-N
XLogP-0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(2S)-4-methyl-2-(methylamino)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 122429933
2-methyl-N-(3-oxo-1-phenylbutan-2-yl)-3-phosphanylpropanamide;2-[(2-methyl-3-phosphanylpropanoyl)amino]-3-phenylpropanoic acid
CID 158368568
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide (CID 118910669) is (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide is CN[C@@H](CP)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide?
The InChIKey is ABILIFUNFXWMSB-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20N3O2P/c1-15-11(8-19)13(18)16-10(12(14)17)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8,19H2,1H3,(H2,14,17)(H,16,18)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide?
(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide has a molecular weight of 281.30 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 118910669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).