2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid

C13H18N2O3 — CID 110490509

IUPAC2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(11(16)17)14-12(18)15-13(2,3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyFCQFYIMUINRCQX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.69
Rot. Bonds4

About 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid

2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 110490509) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID110490509
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(11(16)17)14-12(18)15-13(2,3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyFCQFYIMUINRCQX-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(2-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

3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526
2-phenylpropan-2-ylcarbamic acid
CID 23445609
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 114264145
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
CID 119238650
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
CID 129087089
methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid (CID 110490509) is 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid is CC(NC(=O)NC(C)(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is FCQFYIMUINRCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(11(16)17)14-12(18)15-13(2,3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 110490509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).