(1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate

C13H25NO2 — CID 146294431

IUPAC(1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C13H25NO2/c1-5-12(4,14)11(15)16-13(10(2)3)8-6-7-9-13/h10H,5-9,14H2,1-4H3
InChIKeyDKXLGHFEFGPPPX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds4

About (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate

(1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate (PubChem CID 146294431) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate
PubChem CID146294431
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C13H25NO2/c1-5-12(4,14)11(15)16-13(10(2)3)8-6-7-9-13/h10H,5-9,14H2,1-4H3
InChIKeyDKXLGHFEFGPPPX-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-amino-2-cyclopentylpropanoate
CID 18379345
(1-Pentan-3-ylcyclohexyl) 2-(iodoamino)-2-methylbutanoate
CID 126664054
tert-butyl (2R)-2-amino-2-ethyl-4-methylpentanoate;hydrochloride
CID 140231179
(1-Methylcyclopentyl) 2-amino-2-methylpropanoate
CID 144210087
(1-Propan-2-ylcyclopentyl) 3-amino-2,2,3-trimethylbutanoate
CID 156556286
CID 163640816
CID 163640816
(1-Propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate
CID 166763488
(1-Tert-butylcyclopentyl) 2-amino-2-methylbutanoate
CID 169692818
3-Methylheptan-3-yl 2-amino-2-methylbutanoate
CID 169692909
Cyclopentylmethyl 2-amino-2-methylbutanoate
CID 79798959
Cyclopentylmethyl 2-amino-2-ethylbutanoate
CID 79803484
tert-butyl (2R)-2-amino-2-ethyl-4-methylpentanoate
CID 140231180

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate (CID 146294431) is (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OC1(C(C)C)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate?
The InChIKey is DKXLGHFEFGPPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-12(4,14)11(15)16-13(10(2)3)8-6-7-9-13/h10H,5-9,14H2,1-4H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate?
(1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate has a molecular weight of 227.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) 2-amino-2-methylbutanoate is sourced from PubChem (CID 146294431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).