2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride

C9H17ClN2O3 — CID 168861054

IUPAC2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride
SMILESCC(C1CCNC1=O)C(C)(N)C(=O)O.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-5(9(2,10)8(13)14)6-3-4-11-7(6)12;/h5-6H,3-4,10H2,1-2H3,(H,11,12)(H,13,14);1H
InChIKeyJUBQVRIYOBHLFJ-UHFFFAOYSA-N
MW236.70 g/mol
LogP-0.02
Rot. Bonds3

About 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride

2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride (PubChem CID 168861054) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride
PubChem CID168861054
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Name2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride
SMILESCC(C1CCNC1=O)C(C)(N)C(=O)O.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-5(9(2,10)8(13)14)6-3-4-11-7(6)12;/h5-6H,3-4,10H2,1-2H3,(H,11,12)(H,13,14);1H
InChIKeyJUBQVRIYOBHLFJ-UHFFFAOYSA-N
XLogP-0.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxyethyl)pyrrolidin-2-one
CID 559138
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
(3S)-3-(1-amino-2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 90047014
3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 142674016
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
CID 23245298
[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
CID 156835139
(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 175917702
3-(1-aminoethyl)azepan-2-one
CID 2837704
(3R)-2-oxopyrrolidine-3-carboxylic acid
CID 92974819
3-tert-butylpyrrolidin-2-one
CID 23448210
formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 175132511
3-(1-aminoethyl)azocan-2-one
CID 23959350

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride (CID 168861054) is 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride is CC(C1CCNC1=O)C(C)(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride?
The InChIKey is JUBQVRIYOBHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-5(9(2,10)8(13)14)6-3-4-11-7(6)12;/h5-6H,3-4,10H2,1-2H3,(H,11,12)(H,13,14);1H.
What are the key properties of 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride?
2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(2-oxopyrrolidin-3-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 168861054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).