2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid

C14H20N2O3 — CID 63012316

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

About 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid

2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 63012316) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID63012316
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(Cc1ccccc1)NC(=O)NCC(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(13(17)18)9-15-14(19)16-11(2)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyNNWMUKPMFFFIIN-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

Analyze 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 4019220
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464414
4-methylsulfanyl-2-(1-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 63010780
2-(2,2-difluoroethylcarbamoylamino)-3-phenylpropanoic acid
CID 112703481
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid (CID 63012316) is 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid is CC(Cc1ccccc1)NC(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is NNWMUKPMFFFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13(17)18)9-15-14(19)16-11(2)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid?
2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic 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-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 63012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).