1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride

C17H25ClN2O3 — CID 119904711

IUPAC1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-13(2)19(10-14-6-4-3-5-7-14)16(20)12-18-9-8-15(11-18)17(21)22;/h3-7,13,15H,8-12H2,1-2H3,(H,21,22);1H
InChIKeyVZWFZLCNPJTYFV-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride

1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 119904711) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID119904711
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-13(2)19(10-14-6-4-3-5-7-14)16(20)12-18-9-8-15(11-18)17(21)22;/h3-7,13,15H,8-12H2,1-2H3,(H,21,22);1H
InChIKeyVZWFZLCNPJTYFV-UHFFFAOYSA-N
XLogP2.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907822
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylacetamide
CID 109000032
N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 111106959
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
CID 110687706
N-benzyl-N-(1-cyclopropylethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110879557
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903869
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
CID 122036313

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride (CID 119904711) is 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride is CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)O)C1.Cl.
What is the InChIKey of 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is VZWFZLCNPJTYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-13(2)19(10-14-6-4-3-5-7-14)16(20)12-18-9-8-15(11-18)17(21)22;/h3-7,13,15H,8-12H2,1-2H3,(H,21,22);1H.
What are the key properties of 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride?
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119904711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).