(2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid

C12H19NO2 — CID 134863704

IUPAC(2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
SMILESC[C@H]1CCC=C(N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H19NO2/c1-9-4-2-5-10(8-9)13-7-3-6-11(13)12(14)15/h5,9,11H,2-4,6-8H2,1H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyDSWMEQYUJBOURE-ONGXEEELSA-N
MW209.29 g/mol
LogP2.24
Rot. Bonds2

About (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid

(2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid (PubChem CID 134863704) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
PubChem CID134863704
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
SMILESC[C@H]1CCC=C(N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H19NO2/c1-9-4-2-5-10(8-9)13-7-3-6-11(13)12(14)15/h5,9,11H,2-4,6-8H2,1H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyDSWMEQYUJBOURE-ONGXEEELSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]pyrrolidine-2-carboxylic acid
CID 122572708
4-[(Z)-prop-1-enyl]-1-propylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159388283
methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
CID 15470676
(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 101234963
(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid
CID 134850380
(2S)-1-[(5R)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134850992
(2S)-1-(2-methylcyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 134853793
(2S)-1-[(4S)-4-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853798
(2S)-1-[(3S)-3-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853838
(2S)-1-[(3R)-3-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853962
(2S)-1-[(6R)-6-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134854345
(2S)-1-(4-methylcyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 134854347

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid (CID 134863704) is (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid is C[C@H]1CCC=C(N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is DSWMEQYUJBOURE-ONGXEEELSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-4-2-5-10(8-9)13-7-3-6-11(13)12(14)15/h5,9,11H,2-4,6-8H2,1H3,(H,14,15)/t9-,11-/m0/s1.
What are the key properties of (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5S)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 134863704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).