2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid

C15H22N2O3 — CID 61188375

IUPAC2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H22N2O3/c1-5-12(4)17(9-14(18)19)15(20)16-13-7-6-10(2)8-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyCCLKWQKFCUEQAR-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.02
Rot. Bonds5

About 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid (PubChem CID 61188375) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
PubChem CID61188375
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H22N2O3/c1-5-12(4)17(9-14(18)19)15(20)16-13-7-6-10(2)8-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyCCLKWQKFCUEQAR-UHFFFAOYSA-N
XLogP3.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid
CID 61181038
2-[butan-2-yl-[(2,4,5-trichlorophenyl)carbamoyl]amino]acetic acid
CID 61181583
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl-butan-2-ylamino]acetic acid
CID 107576309
[4-[[[(2R)-butan-2-yl]-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 7262618
2-[butan-2-yl-[(2-chloro-5-fluorophenyl)carbamoyl]amino]acetic acid
CID 107530003
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
3-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187279
2-[butan-2-yl-[(5-chloro-2-methoxyphenyl)carbamoyl]amino]acetic acid
CID 61184960
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid (CID 61188375) is 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is CCLKWQKFCUEQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-12(4)17(9-14(18)19)15(20)16-13-7-6-10(2)8-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61188375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).