3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid

C15H20ClNO3 — CID 82325390

IUPAC3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc(Cl)cc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-10(14(19)20)9-17(15(2,3)4)13(18)11-5-7-12(16)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyZAFIWXIVLHKAFZ-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.30
Rot. Bonds4

About 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid

3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 82325390) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID82325390
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc(Cl)cc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-10(14(19)20)9-17(15(2,3)4)13(18)11-5-7-12(16)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyZAFIWXIVLHKAFZ-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzoyl(tert-butyl)amino]-2-methylpropanoic acid
CID 82324552
3-[(4-chlorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82325395
2-[tert-butyl-(4-propan-2-ylbenzoyl)amino]acetic acid
CID 79266009
3-[N-(1-carboxyethyl)-4-chloroanilino]-2-methylpropanoic acid
CID 82317255
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid
CID 2874620
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
CID 19752746
N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid (CID 82325390) is 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid is CC(CN(C(=O)c1ccc(Cl)cc1)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is ZAFIWXIVLHKAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(14(19)20)9-17(15(2,3)4)13(18)11-5-7-12(16)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,20).
What are the key properties of 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid?
3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 297.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).