1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

C13H18ClN3O — CID 114081770

IUPAC1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESNCC(c1cccc(Cl)c1)N1CCC(C(N)=O)C1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-2-9(6-11)12(7-15)17-5-4-10(8-17)13(16)18/h1-3,6,10,12H,4-5,7-8,15H2,(H2,16,18)
InChIKeyXFUVNDVHZBTLDY-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.15
Rot. Bonds4

About 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 114081770) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID114081770
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESNCC(c1cccc(Cl)c1)N1CCC(C(N)=O)C1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-2-9(6-11)12(7-15)17-5-4-10(8-17)13(16)18/h1-3,6,10,12H,4-5,7-8,15H2,(H2,16,18)
InChIKeyXFUVNDVHZBTLDY-UHFFFAOYSA-N
XLogP1.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487
(3R)-1-[(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124747076
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890902
[4-[2-amino-1-(3-chlorophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932163
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 114081770) is 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is NCC(c1cccc(Cl)c1)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is XFUVNDVHZBTLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-3-1-2-9(6-11)12(7-15)17-5-4-10(8-17)13(16)18/h1-3,6,10,12H,4-5,7-8,15H2,(H2,16,18).
What are the key properties of 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114081770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).