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

C8H15NO2 — CID 90378778

IUPACcis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
SMILESCN[C@@H]1CC[C@H](C(=O)OC)C1
InChIInChI=1S/C8H15NO2/c1-9-7-4-3-6(5-7)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyFYKQCEKTPDPCIP-NKWVEPMBSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds2

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

cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate (PubChem CID 90378778) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
PubChem CID90378778
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
SMILESCN[C@@H]1CC[C@H](C(=O)OC)C1
InChIInChI=1S/C8H15NO2/c1-9-7-4-3-6(5-7)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyFYKQCEKTPDPCIP-NKWVEPMBSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
methyl (1R)-3-hydroxycyclopentane-1-carboxylate
CID 90130718
cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
CID 58928079
methyl 4-formamidocyclohexane-1-carboxylate
CID 89096292
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
CID 129418708
4-methoxycarbonylcyclohexane-1,2-dicarboxylic acid
CID 23443945
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate (CID 90378778) is cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate is CN[C@@H]1CC[C@H](C(=O)OC)C1.
What is the InChIKey of cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is FYKQCEKTPDPCIP-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-7-4-3-6(5-7)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate?
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 90378778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).