4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid

C15H22N2O3 — CID 61186680

IUPAC4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(2)17(11-7-10-14(18)19)15(20)16(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyUSEOKKJIMUYUCF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds6

About 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid

4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 61186680) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID61186680
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(2)17(11-7-10-14(18)19)15(20)16(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyUSEOKKJIMUYUCF-UHFFFAOYSA-N
XLogP2.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
CID 107737053
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695
4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
CID 62335673
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61201536
4-(N-chloroanilino)butanoic acid
CID 175293353
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid (CID 61186680) is 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N(C)c1ccccc1.
What is the InChIKey of 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is USEOKKJIMUYUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(2)17(11-7-10-14(18)19)15(20)16(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61186680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).