1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid

C10H14N2O2 — CID 115246382

IUPAC1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ccc[nH]2)CCC1
InChIInChI=1S/C10H14N2O2/c13-9(14)10(4-2-5-10)7-12-8-3-1-6-11-8/h1,3,6,11-12H,2,4-5,7H2,(H,13,14)
InChIKeyATKKXTLWGOZMCQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.68
Rot. Bonds4

About 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid

1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246382) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115246382
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ccc[nH]2)CCC1
InChIInChI=1S/C10H14N2O2/c13-9(14)10(4-2-5-10)7-12-8-3-1-6-11-8/h1,3,6,11-12H,2,4-5,7H2,(H,13,14)
InChIKeyATKKXTLWGOZMCQ-UHFFFAOYSA-N
XLogP1.68
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1H-indole-6-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362162
1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid
CID 116928765
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184067
1-[[(2-phenylsulfanylacetyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362768
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
1-[(4-bromo-2-carbamoylanilino)methyl]cyclobutane-1-carboxylic acid
CID 114890256
1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid
CID 113311118
1-[(2-propylsulfonylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115445689
3-[(1H-pyrrol-2-ylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248431
1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
CID 115436037
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid (CID 115246382) is 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNc2ccc[nH]2)CCC1.
What is the InChIKey of 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ATKKXTLWGOZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9(14)10(4-2-5-10)7-12-8-3-1-6-11-8/h1,3,6,11-12H,2,4-5,7H2,(H,13,14).
What are the key properties of 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-pyrrol-2-ylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).