2-(1-amino-3,3-dimethylcyclopentyl)acetic acid

C9H17NO2 — CID 80698917

IUPAC2-(1-amino-3,3-dimethylcyclopentyl)acetic acid
SMILESCC1(C)CCC(N)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-8(2)3-4-9(10,6-8)5-7(11)12/h3-6,10H2,1-2H3,(H,11,12)
InChIKeyPZVQCGYQIYYQFT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds2

About 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid

2-(1-amino-3,3-dimethylcyclopentyl)acetic acid (PubChem CID 80698917) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1-amino-3,3-dimethylcyclopentyl)acetic acid
PubChem CID80698917
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1-amino-3,3-dimethylcyclopentyl)acetic acid
SMILESCC1(C)CCC(N)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-8(2)3-4-9(10,6-8)5-7(11)12/h3-6,10H2,1-2H3,(H,11,12)
InChIKeyPZVQCGYQIYYQFT-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
1-(carboxymethyl)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 90414341
1-(aminomethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705509
2-(4-aminopiperidin-4-yl)acetic acid
CID 18379201
2-(4-aminopiperidin-4-yl)acetic acid;hydrochloride
CID 138111407
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
2-(1-amino-3-tert-butylcyclobutyl)acetic acid
CID 174479770
[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride
CID 10776156

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid?
The IUPAC name of 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid (CID 80698917) is 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid?
The canonical SMILES for 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid is CC1(C)CCC(N)(CC(=O)O)C1.
What is the InChIKey of 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid?
The InChIKey is PZVQCGYQIYYQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)3-4-9(10,6-8)5-7(11)12/h3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid?
2-(1-amino-3,3-dimethylcyclopentyl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3,3-dimethylcyclopentyl)acetic acid is sourced from PubChem (CID 80698917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).