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

C13H16N2O4 — CID 115448230

IUPAC5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
SMILESNCC1(C(=O)Nc2ccc(O)c(C(=O)O)c2)CCC1
InChIInChI=1S/C13H16N2O4/c14-7-13(4-1-5-13)12(19)15-8-2-3-10(16)9(6-8)11(17)18/h2-3,6,16H,1,4-5,7,14H2,(H,15,19)(H,17,18)
InChIKeyBPZUFZKNXWHOTR-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.16
Rot. Bonds4

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

5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid (PubChem CID 115448230) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
PubChem CID115448230
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
SMILESNCC1(C(=O)Nc2ccc(O)c(C(=O)O)c2)CCC1
InChIInChI=1S/C13H16N2O4/c14-7-13(4-1-5-13)12(19)15-8-2-3-10(16)9(6-8)11(17)18/h2-3,6,16H,1,4-5,7,14H2,(H,15,19)(H,17,18)
InChIKeyBPZUFZKNXWHOTR-UHFFFAOYSA-N
XLogP1.16
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.16
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

5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-bromobenzoic acid
CID 115448782
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2,3-dimethylbenzoic acid
CID 115448528
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid
CID 115435207
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide
CID 80588839
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid (CID 115448230) is 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid is NCC1(C(=O)Nc2ccc(O)c(C(=O)O)c2)CCC1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid?
The InChIKey is BPZUFZKNXWHOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-7-13(4-1-5-13)12(19)15-8-2-3-10(16)9(6-8)11(17)18/h2-3,6,16H,1,4-5,7,14H2,(H,15,19)(H,17,18).
What are the key properties of 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid?
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 115448230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).