(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 64677043

IUPAC(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESNC1(CC(=O)N2CCC[C@@H]2C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3/c14-13(6-2-1-3-7-13)9-11(16)15-8-4-5-10(15)12(17)18/h10H,1-9,14H2,(H,17,18)/t10-/m1/s1
InChIKeyDJXVTPTUTUYNQO-SNVBAGLBSA-N
MW254.33 g/mol
LogP1.11
Rot. Bonds3

About (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 64677043) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID64677043
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESNC1(CC(=O)N2CCC[C@@H]2C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3/c14-13(6-2-1-3-7-13)9-11(16)15-8-4-5-10(15)12(17)18/h10H,1-9,14H2,(H,17,18)/t10-/m1/s1
InChIKeyDJXVTPTUTUYNQO-SNVBAGLBSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068866
(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
CID 103871056
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
CID 81169332
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-[2-(1-aminocyclohexyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64677366
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542
1-[2-(1-hydroxycyclopentyl)acetyl]pyrrolidine-2-carboxamide
CID 111538013

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid (CID 64677043) is (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid is NC1(CC(=O)N2CCC[C@@H]2C(=O)O)CCCCC1.
What is the InChIKey of (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DJXVTPTUTUYNQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-13(6-2-1-3-7-13)9-11(16)15-8-4-5-10(15)12(17)18/h10H,1-9,14H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64677043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).