1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

C11H19ClN2O3 — CID 119909272

IUPAC1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN(C(=O)CN1CCCC1C(=O)O)C1CC1.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-12(8-4-5-8)10(14)7-13-6-2-3-9(13)11(15)16;/h8-9H,2-7H2,1H3,(H,15,16);1H
InChIKeyUZXNERNYTJPFCX-UHFFFAOYSA-N
MW262.74 g/mol
LogP0.58
Rot. Bonds4

About 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119909272) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119909272
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN(C(=O)CN1CCCC1C(=O)O)C1CC1.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-12(8-4-5-8)10(14)7-13-6-2-3-9(13)11(15)16;/h8-9H,2-7H2,1H3,(H,15,16);1H
InChIKeyUZXNERNYTJPFCX-UHFFFAOYSA-N
XLogP0.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64564533
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
N-cyclopropyl-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928619
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835226
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
(2S)-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910417
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441174
N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114339601
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119909272) is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is CN(C(=O)CN1CCCC1C(=O)O)C1CC1.Cl.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is UZXNERNYTJPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.ClH/c1-12(8-4-5-8)10(14)7-13-6-2-3-9(13)11(15)16;/h8-9H,2-7H2,1H3,(H,15,16);1H.
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119909272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).