(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid

C14H23NO4 — CID 119372189

IUPAC(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCCC1OCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H23NO4/c1-10-5-2-3-7-12(10)19-9-13(16)15-8-4-6-11(15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10?,11-,12?/m1/s1
InChIKeyWXIBHFUUHQDIOA-MOENNCHZSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds4

About (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372189) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
PubChem CID119372189
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCCC1OCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H23NO4/c1-10-5-2-3-7-12(10)19-9-13(16)15-8-4-6-11(15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10?,11-,12?/m1/s1
InChIKeyWXIBHFUUHQDIOA-MOENNCHZSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
(6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 129470260
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
CID 111560893
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858714
2-[(1S,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858715

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid (CID 119372189) is (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid is CC1CCCCC1OCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WXIBHFUUHQDIOA-MOENNCHZSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-5-2-3-7-12(10)19-9-13(16)15-8-4-6-11(15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10?,11-,12?/m1/s1.
What are the key properties of (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).