2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid

C14H19NO4 — CID 54925820

IUPAC2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cccc(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-10(2)15(9-13(16)17)14(18)11-6-5-7-12(8-11)19-3/h5-8,10H,4,9H2,1-3H3,(H,16,17)
InChIKeyLGDRMSHZZTTXHB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.02
Rot. Bonds6

About 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid

2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid (PubChem CID 54925820) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
PubChem CID54925820
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cccc(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-10(2)15(9-13(16)17)14(18)11-6-5-7-12(8-11)19-3/h5-8,10H,4,9H2,1-3H3,(H,16,17)
InChIKeyLGDRMSHZZTTXHB-UHFFFAOYSA-N
XLogP2.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
2-[(3-bromo-4-methoxybenzoyl)-butan-2-ylamino]acetic acid
CID 60829055
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
2-[[1-(3-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 112513433
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 63393651
2-[butan-2-yl-[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetic acid
CID 119954510
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-butan-2-ylamino]acetic acid
CID 119954727

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid (CID 54925820) is 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cccc(OC)c1.
What is the InChIKey of 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid?
The InChIKey is LGDRMSHZZTTXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-10(2)15(9-13(16)17)14(18)11-6-5-7-12(8-11)19-3/h5-8,10H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid?
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 54925820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).