2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid

C16H23NO2 — CID 20598308

IUPAC2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid
SMILESC[C@H]1C[C@@](CN)(CC(=O)O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-12-8-16(11-17,10-15(18)19)9-14(12)7-13-5-3-2-4-6-13/h2-6,12,14H,7-11,17H2,1H3,(H,18,19)/t12-,14-,16-/m0/s1
InChIKeyFWYRJVIMOVQWCD-NOLJZWGESA-N
MW261.36 g/mol
LogP2.69
Rot. Bonds5

About 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid

2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid (PubChem CID 20598308) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid
PubChem CID20598308
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid
SMILESC[C@H]1C[C@@](CN)(CC(=O)O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-12-8-16(11-17,10-15(18)19)9-14(12)7-13-5-3-2-4-6-13/h2-6,12,14H,7-11,17H2,1H3,(H,18,19)/t12-,14-,16-/m0/s1
InChIKeyFWYRJVIMOVQWCD-NOLJZWGESA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid (CID 20598308) is 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid is C[C@H]1C[C@@](CN)(CC(=O)O)C[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid?
The InChIKey is FWYRJVIMOVQWCD-NOLJZWGESA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-16(11-17,10-15(18)19)9-14(12)7-13-5-3-2-4-6-13/h2-6,12,14H,7-11,17H2,1H3,(H,18,19)/t12-,14-,16-/m0/s1.
What are the key properties of 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid?
2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid has a molecular weight of 261.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S,4S)-1-(aminomethyl)-3-benzyl-4-methylcyclopentyl]acetic acid is sourced from PubChem (CID 20598308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).