5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid

C14H18N2O3 — CID 79854745

IUPAC5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)CC2(N)CCC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-3-4-10(7-11(9)13(18)19)16-12(17)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyGHOCLQQGIRICOV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.90
Rot. Bonds4

About 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid

5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid (PubChem CID 79854745) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
PubChem CID79854745
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)CC2(N)CCC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-3-4-10(7-11(9)13(18)19)16-12(17)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyGHOCLQQGIRICOV-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79853601
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid (CID 79854745) is 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)CC2(N)CCC2)cc1C(=O)O.
What is the InChIKey of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid?
The InChIKey is GHOCLQQGIRICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-4-10(7-11(9)13(18)19)16-12(17)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid?
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 79854745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).