4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid

C15H20N2O4 — CID 43359941

IUPAC4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
SMILESCc1cccc(C(=O)NCC(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11-5-3-6-12(9-11)15(21)16-10-13(18)17(2)8-4-7-14(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyCWQFZOFUFQQHGA-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.05
Rot. Bonds7

About 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid

4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid (PubChem CID 43359941) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
PubChem CID43359941
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
SMILESCc1cccc(C(=O)NCC(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11-5-3-6-12(9-11)15(21)16-10-13(18)17(2)8-4-7-14(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyCWQFZOFUFQQHGA-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 62334553
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
3-methyl-N-phenacylbenzamide
CID 3417494
N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 43572908
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 43359989
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112995384
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid (CID 43359941) is 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid is Cc1cccc(C(=O)NCC(=O)N(C)CCCC(=O)O)c1.
What is the InChIKey of 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid?
The InChIKey is CWQFZOFUFQQHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-5-3-6-12(9-11)15(21)16-10-13(18)17(2)8-4-7-14(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid?
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid is sourced from PubChem (CID 43359941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).