2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid

C15H22N2O4 — CID 81085564

IUPAC2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccccc1C(C)(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-7-5-6-8-11(10)16-14(20)17-12(9-21-4)13(18)19/h5-8,12H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyRLWLQCNODJEARS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.21
Rot. Bonds5

About 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid

2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid (PubChem CID 81085564) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid
PubChem CID81085564
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccccc1C(C)(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-7-5-6-8-11(10)16-14(20)17-12(9-21-4)13(18)19/h5-8,12H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyRLWLQCNODJEARS-UHFFFAOYSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic 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-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076673
2-[(2-aminophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084615
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085087
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
N-(2-tert-butylphenyl)-2-(methoxymethoxy)propanamide
CID 73080335
4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840119
1-(1-amino-3-methoxypropan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 106181144
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-[(4-iodophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085093
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid (CID 81085564) is 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid is COCC(NC(=O)Nc1ccccc1C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid?
The InChIKey is RLWLQCNODJEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)10-7-5-6-8-11(10)16-14(20)17-12(9-21-4)13(18)19/h5-8,12H,9H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid?
2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81085564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).