cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate

C10H19NO2 — CID 106323797

IUPACcis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESCC(C)COC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H19NO2/c1-7(2)6-13-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyITGCAJUPXCXBRZ-BDAKNGLRSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds3

About cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate

cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate (PubChem CID 106323797) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
PubChem CID106323797
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESCC(C)COC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C10H19NO2/c1-7(2)6-13-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyITGCAJUPXCXBRZ-BDAKNGLRSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl cyclopropanecarboxylate
CID 549520
cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323858
3-(2-methylpropoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983583
tetrakis(2-methylpropyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 23444116
3-O-(3-methylbutyl) 1-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984045
1-O-(4-methylpentyl) 4-O-(2-methylpropyl) cyclohexane-1,4-dicarboxylate
CID 66983850
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323832
2-methylpropyl 4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 134192365
bis(2-methylpropyl) 5-methylcyclohept-4-ene-1,3-dicarboxylate
CID 66938231
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
1-O-(2-methylpropyl) 3-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66983681

Frequently Asked Questions

What is the IUPAC name of cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate (CID 106323797) is cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate is CC(C)COC(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The InChIKey is ITGCAJUPXCXBRZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)6-13-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 106323797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).