2-(N-methoxycarbonylanilino)butanoic acid

C12H15NO4 — CID 70150820

IUPAC2-(N-methoxycarbonylanilino)butanoic acid
SMILESCCC(C(=O)O)N(C(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-10(11(14)15)13(12(16)17-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15)
InChIKeyBDSUGXLJMQNQTP-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.12
Rot. Bonds4

About 2-(N-methoxycarbonylanilino)butanoic acid

2-(N-methoxycarbonylanilino)butanoic acid (PubChem CID 70150820) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(N-methoxycarbonylanilino)butanoic acid.

Molecular Properties

Compound Name2-(N-methoxycarbonylanilino)butanoic acid
PubChem CID70150820
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-(N-methoxycarbonylanilino)butanoic acid
SMILESCCC(C(=O)O)N(C(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-10(11(14)15)13(12(16)17-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15)
InChIKeyBDSUGXLJMQNQTP-UHFFFAOYSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(N-propanoylanilino)butanoate
CID 95626471
2-(N-acetyl-4-chloroanilino)butanoic acid
CID 22492313
2-(N-propanoylanilino)butanedioic acid
CID 174719289
methyl (2S)-2-(N-[(3S)-oxolane-3-carbonyl]anilino)butanoate
CID 129379975
ethyl (2S)-2-(9H-fluoren-9-yl)-2-(N-methoxycarbonylanilino)acetate
CID 54280060
methyl (2S)-2-(N-phenylmethoxycarbonylanilino)-3-sulfanylpropanoate
CID 57250956
2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide
CID 67804139
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid
CID 175700602
propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708

Frequently Asked Questions

What is the IUPAC name of 2-(N-methoxycarbonylanilino)butanoic acid?
The IUPAC name of 2-(N-methoxycarbonylanilino)butanoic acid (CID 70150820) is 2-(N-methoxycarbonylanilino)butanoic acid.
What is the SMILES notation for 2-(N-methoxycarbonylanilino)butanoic acid?
The canonical SMILES for 2-(N-methoxycarbonylanilino)butanoic acid is CCC(C(=O)O)N(C(=O)OC)c1ccccc1.
What is the InChIKey of 2-(N-methoxycarbonylanilino)butanoic acid?
The InChIKey is BDSUGXLJMQNQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-10(11(14)15)13(12(16)17-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(N-methoxycarbonylanilino)butanoic acid?
2-(N-methoxycarbonylanilino)butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methoxycarbonylanilino)butanoic acid is sourced from PubChem (CID 70150820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).