2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid

C15H22N2O3 — CID 104829403

IUPAC2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid
SMILESCC(NC(=O)Nc1ccc(CC(=O)O)cc1)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10(15(2,3)4)16-14(20)17-12-7-5-11(6-8-12)9-13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyBCHQFEBICQJUSS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid

2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid (PubChem CID 104829403) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid
PubChem CID104829403
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid
SMILESCC(NC(=O)Nc1ccc(CC(=O)O)cc1)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10(15(2,3)4)16-14(20)17-12-7-5-11(6-8-12)9-13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyBCHQFEBICQJUSS-UHFFFAOYSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic 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-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
2-[4-(3-methylpentan-3-ylcarbamoylamino)phenyl]acetic acid
CID 106330639
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid
CID 61480590
1-(4-butoxyphenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3856337
2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid
CID 62844073
1-(3,4-difluorophenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3763326
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104829215
2-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 113424569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid (CID 104829403) is 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid is CC(NC(=O)Nc1ccc(CC(=O)O)cc1)C(C)(C)C.
What is the InChIKey of 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
The InChIKey is BCHQFEBICQJUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(15(2,3)4)16-14(20)17-12-7-5-11(6-8-12)9-13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 104829403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).