2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid

C14H18N2O4 — CID 115435207

IUPAC2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid
SMILESNCC1(C(=O)Nc2ccc(O)cc2C(=O)O)CCCC1
InChIInChI=1S/C14H18N2O4/c15-8-14(5-1-2-6-14)13(20)16-11-4-3-9(17)7-10(11)12(18)19/h3-4,7,17H,1-2,5-6,8,15H2,(H,16,20)(H,18,19)
InChIKeyLMLZHZGMVIFKLJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.55
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid (PubChem CID 115435207) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid
PubChem CID115435207
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid
SMILESNCC1(C(=O)Nc2ccc(O)cc2C(=O)O)CCCC1
InChIInChI=1S/C14H18N2O4/c15-8-14(5-1-2-6-14)13(20)16-11-4-3-9(17)7-10(11)12(18)19/h3-4,7,17H,1-2,5-6,8,15H2,(H,16,20)(H,18,19)
InChIKeyLMLZHZGMVIFKLJ-UHFFFAOYSA-N
XLogP1.55
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-chlorobenzoic acid
CID 115439336
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-bromobenzoic acid
CID 115435155
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-4-bromobenzoic acid
CID 115437697
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-fluorobenzoic acid
CID 115435469
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-fluorobenzoic acid
CID 115438100
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid (CID 115435207) is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid is NCC1(C(=O)Nc2ccc(O)cc2C(=O)O)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid?
The InChIKey is LMLZHZGMVIFKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-8-14(5-1-2-6-14)13(20)16-11-4-3-9(17)7-10(11)12(18)19/h3-4,7,17H,1-2,5-6,8,15H2,(H,16,20)(H,18,19).
What are the key properties of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid?
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 115435207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).