1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

C15H19ClN2O3 — CID 63720767

IUPAC1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)Cc2cccc(Cl)c2)CC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-10-7-18(9-13(10)14(19)20)15(21)17(2)8-11-4-3-5-12(16)6-11/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyQWTYSSRQDKFFCC-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.54
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720767) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720767
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)Cc2cccc(Cl)c2)CC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-10-7-18(9-13(10)14(19)20)15(21)17(2)8-11-4-3-5-12(16)6-11/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyQWTYSSRQDKFFCC-UHFFFAOYSA-N
XLogP2.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720946
1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61416937
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
2-[(3-chlorophenyl)methyl-methylamino]cycloheptane-1-carboxylic acid
CID 63069357
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719728
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975494
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
N-[(3-chlorophenyl)methyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methylacetamide
CID 95326255
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63720767) is 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)N(C)Cc2cccc(Cl)c2)CC1C(=O)O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QWTYSSRQDKFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-7-18(9-13(10)14(19)20)15(21)17(2)8-11-4-3-5-12(16)6-11/h3-6,10,13H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).