2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid

C16H21NO4 — CID 62695518

IUPAC2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
SMILESCCCCOc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO4/c1-2-3-10-21-13-8-6-12(7-9-13)15(18)17-14(16(19)20)11-4-5-11/h6-9,11,14H,2-5,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyCDQLYIXAHDMGCX-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds8

About 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid

2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid (PubChem CID 62695518) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
PubChem CID62695518
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
SMILESCCCCOc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO4/c1-2-3-10-21-13-8-6-12(7-9-13)15(18)17-14(16(19)20)11-4-5-11/h6-9,11,14H,2-5,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyCDQLYIXAHDMGCX-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
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-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
4-(4-butoxyphenyl)-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 4274925
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977142
4-butoxy-N-cyclobutylbenzamide
CID 71449411
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
CID 62696695
2-[4-(4-bromophenoxy)butanoylamino]-2-cyclopropylacetic acid
CID 62697266
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid (CID 62695518) is 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid is CCCCOc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is CDQLYIXAHDMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-3-10-21-13-8-6-12(7-9-13)15(18)17-14(16(19)20)11-4-5-11/h6-9,11,14H,2-5,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid?
2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).