4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid

C15H19NO4 — CID 119170749

IUPAC4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1OCC1CC1
InChIInChI=1S/C15H19NO4/c17-14(18)6-3-9-16-15(19)12-4-1-2-5-13(12)20-10-11-7-8-11/h1-2,4-5,11H,3,6-10H2,(H,16,19)(H,17,18)
InChIKeyAHSBAMOIVVYLJR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds8

About 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid

4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid (PubChem CID 119170749) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
PubChem CID119170749
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1OCC1CC1
InChIInChI=1S/C15H19NO4/c17-14(18)6-3-9-16-15(19)12-4-1-2-5-13(12)20-10-11-7-8-11/h1-2,4-5,11H,3,6-10H2,(H,16,19)(H,17,18)
InChIKeyAHSBAMOIVVYLJR-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110752
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451224
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid (CID 119170749) is 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid is O=C(O)CCCNC(=O)c1ccccc1OCC1CC1.
What is the InChIKey of 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
The InChIKey is AHSBAMOIVVYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)6-3-9-16-15(19)12-4-1-2-5-13(12)20-10-11-7-8-11/h1-2,4-5,11H,3,6-10H2,(H,16,19)(H,17,18).
What are the key properties of 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid?
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid is sourced from PubChem (CID 119170749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).