2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid

C14H20N2O4 — CID 62329438

IUPAC2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
SMILESCCC(C)Oc1cccc(NC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-4-10(2)20-12-7-5-6-11(8-12)15-14(19)16(3)9-13(17)18/h5-8,10H,4,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyMEKHLGMRCWRWRG-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.41
Rot. Bonds6

About 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid

2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid (PubChem CID 62329438) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
PubChem CID62329438
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
SMILESCCC(C)Oc1cccc(NC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-4-10(2)20-12-7-5-6-11(8-12)15-14(19)16(3)9-13(17)18/h5-8,10H,4,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyMEKHLGMRCWRWRG-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]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

6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
N-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
3-[(4-butan-2-yloxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077718
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
CID 17161721
2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid (CID 62329438) is 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid is CCC(C)Oc1cccc(NC(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is MEKHLGMRCWRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10(2)20-12-7-5-6-11(8-12)15-14(19)16(3)9-13(17)18/h5-8,10H,4,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid?
2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 62329438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).