4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid

C14H20N2O3 — CID 81064641

IUPAC4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1ccc(N(C)C)cc1)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(8-13(17)18)9-15-14(19)11-4-6-12(7-5-11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHARCXAATBFRNKR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds6

About 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid

4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid (PubChem CID 81064641) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
PubChem CID81064641
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1ccc(N(C)C)cc1)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(8-13(17)18)9-15-14(19)11-4-6-12(7-5-11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHARCXAATBFRNKR-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-3-methylbutanoic acid
CID 81064617
4-[[4-(aminomethyl)benzoyl]amino]-3-methylbutanoic acid
CID 81073583
(2S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxypropanoic acid
CID 107833075
2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
4-(dimethylamino)-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444459
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-[(3,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 81065212
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
4-[(4-bromo-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 113396656
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid (CID 81064641) is 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid is CC(CNC(=O)c1ccc(N(C)C)cc1)CC(=O)O.
What is the InChIKey of 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid?
The InChIKey is HARCXAATBFRNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(8-13(17)18)9-15-14(19)11-4-6-12(7-5-11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid?
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 81064641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).