(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 54342088

IUPAC(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
SMILESN[C@@H](C(=O)N1CCC[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H22N2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h9-11H,1-8,14H2,(H,17,18)/t10-,11+/m0/s1
InChIKeyTZRMGXALIWYYRR-WDEREUQCSA-N
MW254.33 g/mol
LogP0.97
Rot. Bonds3

About (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 54342088) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
PubChem CID54342088
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
SMILESN[C@@H](C(=O)N1CCC[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H22N2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h9-11H,1-8,14H2,(H,17,18)/t10-,11+/m0/s1
InChIKeyTZRMGXALIWYYRR-WDEREUQCSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid
CID 88885614
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
1-(2-amino-2-cyclohexylacetyl)-N-(3-carbamoylbut-3-en-2-yl)pyrrolidine-2-carboxamide
CID 143351782
(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 3037777
1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 22665766
1-(2-amino-4-carboxybutanoyl)azepane-2-carboxylic acid
CID 64889557
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid (CID 54342088) is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid is N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is TZRMGXALIWYYRR-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h9-11H,1-8,14H2,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54342088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).