cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate

C9H17NO2 — CID 99996118

IUPACcis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](N(C)C)C1
InChIInChI=1S/C9H17NO2/c1-10(2)8-5-4-7(6-8)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyYCNKVCWMUYJQDG-SFYZADRCSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate

cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate (PubChem CID 99996118) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate
PubChem CID99996118
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](N(C)C)C1
InChIInChI=1S/C9H17NO2/c1-10(2)8-5-4-7(6-8)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyYCNKVCWMUYJQDG-SFYZADRCSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate (CID 99996118) is cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate is COC(=O)[C@@H]1CC[C@H](N(C)C)C1.
What is the InChIKey of cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate?
The InChIKey is YCNKVCWMUYJQDG-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(2)8-5-4-7(6-8)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate?
cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 99996118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).