(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid

C18H20N2O3 — CID 2005904

IUPAC(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O3/c1-13(17(21)22)20-18(23)19-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/t13-/m0/s1
InChIKeyYVNDJVVGNORNQA-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds6

About (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid

(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid (PubChem CID 2005904) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
PubChem CID2005904
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O3/c1-13(17(21)22)20-18(23)19-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/t13-/m0/s1
InChIKeyYVNDJVVGNORNQA-ZDUSSCGKSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
CID 3493714
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
3-methyl-2-(2-phenylpropylcarbamoylamino)butanoic acid
CID 103994310
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid (CID 2005904) is (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid is C[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid?
The InChIKey is YVNDJVVGNORNQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(17(21)22)20-18(23)19-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid?
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 2005904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).