5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid

C15H22N2O3 — CID 104682533

IUPAC5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(15(19)20)5-4-10-16-14(18)12-6-8-13(9-7-12)17(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyYCGKYRQYYCBSGB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.98
Rot. Bonds7

About 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid

5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid (PubChem CID 104682533) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
PubChem CID104682533
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(15(19)20)5-4-10-16-14(18)12-6-8-13(9-7-12)17(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyYCGKYRQYYCBSGB-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.98
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

4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 104681984
4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide
CID 87895135
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 104681875
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
5-[(3-amino-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 112547774
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid (CID 104682533) is 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid is CC(CCCNC(=O)c1ccc(N(C)C)cc1)C(=O)O.
What is the InChIKey of 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid?
The InChIKey is YCGKYRQYYCBSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(15(19)20)5-4-10-16-14(18)12-6-8-13(9-7-12)17(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid?
5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104682533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).