4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid

C15H20N2O3 — CID 64676821

IUPAC4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)CC2(N)CCCC2)ccc1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-8-11(4-5-12(10)14(19)20)17-13(18)9-15(16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyCWTVTMZSTGSMNR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.29
Rot. Bonds4

About 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid

4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid (PubChem CID 64676821) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
PubChem CID64676821
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)CC2(N)CCCC2)ccc1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-8-11(4-5-12(10)14(19)20)17-13(18)9-15(16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyCWTVTMZSTGSMNR-UHFFFAOYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79853601
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 119115370
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410
2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
CID 64676889
2-(1-aminocyclopentyl)-N-(4-tert-butylphenyl)acetamide
CID 64686111
2-methyl-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 81281566
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid?
The IUPAC name of 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid (CID 64676821) is 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid is Cc1cc(NC(=O)CC2(N)CCCC2)ccc1C(=O)O.
What is the InChIKey of 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid?
The InChIKey is CWTVTMZSTGSMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-11(4-5-12(10)14(19)20)17-13(18)9-15(16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid?
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 64676821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).