5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid

C14H20N2O3 — CID 82846742

IUPAC5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NC(C)CCCC(=O)O)ccc1N
InChIInChI=1S/C14H20N2O3/c1-9-8-11(6-7-12(9)15)14(19)16-10(2)4-3-5-13(17)18/h6-8,10H,3-5,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBKYLEDDZCVBFFM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.95
Rot. Bonds6

About 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid

5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid (PubChem CID 82846742) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
PubChem CID82846742
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NC(C)CCCC(=O)O)ccc1N
InChIInChI=1S/C14H20N2O3/c1-9-8-11(6-7-12(9)15)14(19)16-10(2)4-3-5-13(17)18/h6-8,10H,3-5,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBKYLEDDZCVBFFM-UHFFFAOYSA-N
XLogP1.95
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
5-[(6-methylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855069
dimethyl 2-[(4-amino-3-methylbenzoyl)amino]hexanedioate
CID 10591918
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 93081126
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methylbenzamide
CID 113268975

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid?
The IUPAC name of 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid (CID 82846742) is 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid is Cc1cc(C(=O)NC(C)CCCC(=O)O)ccc1N.
What is the InChIKey of 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid?
The InChIKey is BKYLEDDZCVBFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-8-11(6-7-12(9)15)14(19)16-10(2)4-3-5-13(17)18/h6-8,10H,3-5,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid?
5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 82846742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).