2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid

C13H25NO2 — CID 20598285

IUPAC2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid
SMILESC[C@H]1C[C@](CN)(CC(=O)O)C[C@H]1C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9-5-13(8-14,7-11(15)16)6-10(9)12(2,3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16)/t9-,10+,13+/m0/s1
InChIKeyHADIVUVIXQMAHB-OPQQBVKSSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds3

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

2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid (PubChem CID 20598285) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid
PubChem CID20598285
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid
SMILESC[C@H]1C[C@](CN)(CC(=O)O)C[C@H]1C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9-5-13(8-14,7-11(15)16)6-10(9)12(2,3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16)/t9-,10+,13+/m0/s1
InChIKeyHADIVUVIXQMAHB-OPQQBVKSSA-N
XLogP2.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid (CID 20598285) is 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid is C[C@H]1C[C@](CN)(CC(=O)O)C[C@H]1C(C)(C)C.
What is the InChIKey of 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid?
The InChIKey is HADIVUVIXQMAHB-OPQQBVKSSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9-5-13(8-14,7-11(15)16)6-10(9)12(2,3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16)/t9-,10+,13+/m0/s1.
What are the key properties of 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid?
2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,4S)-1-(aminomethyl)-3-tert-butyl-4-methylcyclopentyl]acetic acid is sourced from PubChem (CID 20598285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).