1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid

C9H14ClNO2 — CID 63720909

IUPAC1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESC=C(Cl)CN1CC(C)C(C(=O)O)C1
InChIInChI=1S/C9H14ClNO2/c1-6-3-11(4-7(2)10)5-8(6)9(12)13/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyUPIBWMMCQPBONF-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.39
Rot. Bonds3

About 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720909) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720909
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESC=C(Cl)CN1CC(C)C(C(=O)O)C1
InChIInChI=1S/C9H14ClNO2/c1-6-3-11(4-7(2)10)5-8(6)9(12)13/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyUPIBWMMCQPBONF-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-[2-(azepan-1-yl)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086277
1-[2-(butylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720004
4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid
CID 106727543
1-(cyclobutylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65459238
4-methyl-1-(4-methylsulfanylbutyl)pyrrolidine-3-carboxylic acid
CID 103090440
1-(3-hydroxy-3-methylbutyl)-4-methylpyrrolidine-3-carboxylic acid
CID 79356228
(3S,4S)-1-(cyclooctylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114207962
4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63720370
1-[2-(3-chloroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720544
(3S,4S)-1-[(4-carbamoylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086271
1-[4-(dimethylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxylic acid
CID 55226118
(3S,4S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120902

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63720909) is 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid is C=C(Cl)CN1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UPIBWMMCQPBONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-6-3-11(4-7(2)10)5-8(6)9(12)13/h6,8H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 203.67 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).