2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

C14H21ClN2O2 — CID 119775473

IUPAC2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2.ClH/c15-13-6-2-5-12(13)14(18)16-8-10-3-1-4-11(7-10)9-17;/h1,3-4,7,12-13,17H,2,5-6,8-9,15H2,(H,16,18);1H
InChIKeyRXXSZWRLAFTBAG-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.34
Rot. Bonds4

About 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119775473) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119775473
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2.ClH/c15-13-6-2-5-12(13)14(18)16-8-10-3-1-4-11(7-10)9-17;/h1,3-4,7,12-13,17H,2,5-6,8-9,15H2,(H,16,18);1H
InChIKeyRXXSZWRLAFTBAG-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64824627
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CID 119709547
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
CID 64822288
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369
(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide
CID 101368590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119775473) is 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCCC1C(=O)NCc1cccc(CO)c1.
What is the InChIKey of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is RXXSZWRLAFTBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c15-13-6-2-5-12(13)14(18)16-8-10-3-1-4-11(7-10)9-17;/h1,3-4,7,12-13,17H,2,5-6,8-9,15H2,(H,16,18);1H.
What are the key properties of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119775473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).