2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid

C15H21NO2 — CID 69439293

IUPAC2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)CCC(Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c16-11-15(10-14(17)18)7-6-13(9-15)8-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,18)/t13?,15-/m0/s1
InChIKeyKLZGZONBEGYVSU-WUJWULDRSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds5

About 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid

2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid (PubChem CID 69439293) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid
PubChem CID69439293
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)CCC(Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c16-11-15(10-14(17)18)7-6-13(9-15)8-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,18)/t13?,15-/m0/s1
InChIKeyKLZGZONBEGYVSU-WUJWULDRSA-N
XLogP2.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,4R)-1-(aminomethyl)-3,4-dibenzylcyclopentyl]acetic acid
CID 69444578
2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid
CID 20598308
2-[(1R,3S,4S)-1-(aminomethyl)-3-benzyl-4-tert-butylcyclopentyl]acetic acid
CID 20598267
2-[(1S,3S,6R)-3-(aminomethyl)-3-bicyclo[4.2.0]octanyl]acetic acid
CID 57438053
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
CID 58626987
3-benzyl-1-hydroxycyclopentane-1-carbonitrile
CID 14649697
[3-(aminomethyl)-3-benzylcyclohexyl]methanamine
CID 154699226
2-[(3S)-3-benzyl-1-hydroxycyclopentyl]acetaldehyde;carbon dioxide
CID 160668693
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid
CID 20598255

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid (CID 69439293) is 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid is NC[C@@]1(CC(=O)O)CCC(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid?
The InChIKey is KLZGZONBEGYVSU-WUJWULDRSA-N. The full InChI is InChI=1S/C15H21NO2/c16-11-15(10-14(17)18)7-6-13(9-15)8-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,18)/t13?,15-/m0/s1.
What are the key properties of 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid?
2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid is sourced from PubChem (CID 69439293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).