3-[(4-tert-butylbenzoyl)amino]butanoic acid

C15H21NO3 — CID 18370033

IUPAC3-[(4-tert-butylbenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(9-13(17)18)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHOMQYJIJIFDENF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.58
Rot. Bonds4

About 3-[(4-tert-butylbenzoyl)amino]butanoic acid

3-[(4-tert-butylbenzoyl)amino]butanoic acid (PubChem CID 18370033) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(4-tert-butylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butylbenzoyl)amino]butanoic acid
PubChem CID18370033
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(4-tert-butylbenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(9-13(17)18)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHOMQYJIJIFDENF-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
3-[(4-iodobenzoyl)amino]butanoic acid
CID 43240598
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 119221139
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
4-tert-butylbenzoic acid;2-hydroxybutanedioic acid
CID 67739963

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylbenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(4-tert-butylbenzoyl)amino]butanoic acid (CID 18370033) is 3-[(4-tert-butylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-tert-butylbenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-tert-butylbenzoyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylbenzoyl)amino]butanoic acid?
The InChIKey is HOMQYJIJIFDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(9-13(17)18)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(4-tert-butylbenzoyl)amino]butanoic acid?
3-[(4-tert-butylbenzoyl)amino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 18370033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).