(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate

C18H19N2O3- — CID 2027501

IUPAC(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
SMILESC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(15-10-6-3-7-11-15)19-18(23)20-16(17(21)22)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/p-1/t13-,16+/m1/s1
InChIKeyUGVZRJAXSSTPQV-CJNGLKHVSA-M
MW311.36 g/mol
LogP1.41
Rot. Bonds6

About (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate

(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate (PubChem CID 2027501) has the molecular formula C18H19N2O3- and a molecular weight of 311.36 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
PubChem CID2027501
Molecular FormulaC18H19N2O3-
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
SMILESC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(15-10-6-3-7-11-15)19-18(23)20-16(17(21)22)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/p-1/t13-,16+/m1/s1
InChIKeyUGVZRJAXSSTPQV-CJNGLKHVSA-M
XLogP1.41
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-phenyl-2-(propylcarbamoylamino)propanoate
CID 2016663
(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105
(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate
CID 7602326
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
(2S,3R)-3-methyl-2-[[(1S)-1-phenylethyl]carbamoylamino]pentanoate
CID 7559953
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
CID 7623387
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
methyl (2S,3R)-2-benzyl-4-phenyl-3-[[(1R)-1-phenylethyl]carbamoylamino]butanoate
CID 135779869
methyl (2S,3R)-2-benzyl-4-phenyl-3-[[(1S)-1-phenylethyl]carbamoylamino]butanoate
CID 135836169
(2R)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoate
CID 7092603

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
The IUPAC name of (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate (CID 2027501) is (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate.
What is the SMILES notation for (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
The canonical SMILES for (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate is C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
The InChIKey is UGVZRJAXSSTPQV-CJNGLKHVSA-M. The full InChI is InChI=1S/C18H20N2O3/c1-13(15-10-6-3-7-11-15)19-18(23)20-16(17(21)22)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/p-1/t13-,16+/m1/s1.
What are the key properties of (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate has a molecular weight of 311.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate is sourced from PubChem (CID 2027501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).