2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid

C14H20N2O3 — CID 4019220

IUPAC2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
SMILESCC(C)CNC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(2)9-15-14(19)16-12(13(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCOLIYUSULDXPPB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds6

About 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid

2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid (PubChem CID 4019220) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
PubChem CID4019220
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
SMILESCC(C)CNC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(2)9-15-14(19)16-12(13(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCOLIYUSULDXPPB-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 104905883
(2S)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 61188123
2-(2,2-difluoroethylcarbamoylamino)-3-phenylpropanoic acid
CID 112703481
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2S)-2-(2-acetamidoethylcarbamoylamino)-3-phenylpropanoic acid
CID 61201697
2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 63012316
N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide
CID 10345646
2-(3,3-dimethylbutylcarbamoylamino)-3-phenylpropanoic acid
CID 61481285
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid (CID 4019220) is 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid is CC(C)CNC(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid?
The InChIKey is COLIYUSULDXPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)9-15-14(19)16-12(13(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid?
2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 4019220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).