3-amino-N-benzylpyrrolidine-3-carboxamide

C12H17N3O — CID 101010399

IUPAC3-amino-N-benzylpyrrolidine-3-carboxamide
SMILESNC1(C(=O)NCc2ccccc2)CCNC1
InChIInChI=1S/C12H17N3O/c13-12(6-7-14-9-12)11(16)15-8-10-4-2-1-3-5-10/h1-5,14H,6-9,13H2,(H,15,16)
InChIKeyXFNBXVNXLPVWBE-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.01
Rot. Bonds3

About 3-amino-N-benzylpyrrolidine-3-carboxamide

3-amino-N-benzylpyrrolidine-3-carboxamide (PubChem CID 101010399) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-N-benzylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzylpyrrolidine-3-carboxamide
PubChem CID101010399
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-amino-N-benzylpyrrolidine-3-carboxamide
SMILESNC1(C(=O)NCc2ccccc2)CCNC1
InChIInChI=1S/C12H17N3O/c13-12(6-7-14-9-12)11(16)15-8-10-4-2-1-3-5-10/h1-5,14H,6-9,13H2,(H,15,16)
InChIKeyXFNBXVNXLPVWBE-UHFFFAOYSA-N
XLogP-0.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-anilino-N-benzylpiperidine-4-carboxamide
CID 53444066
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-benzyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920758
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzylpyrrolidine-3-carboxamide?
The IUPAC name of 3-amino-N-benzylpyrrolidine-3-carboxamide (CID 101010399) is 3-amino-N-benzylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-amino-N-benzylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-amino-N-benzylpyrrolidine-3-carboxamide is NC1(C(=O)NCc2ccccc2)CCNC1.
What is the InChIKey of 3-amino-N-benzylpyrrolidine-3-carboxamide?
The InChIKey is XFNBXVNXLPVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(6-7-14-9-12)11(16)15-8-10-4-2-1-3-5-10/h1-5,14H,6-9,13H2,(H,15,16).
What are the key properties of 3-amino-N-benzylpyrrolidine-3-carboxamide?
3-amino-N-benzylpyrrolidine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzylpyrrolidine-3-carboxamide is sourced from PubChem (CID 101010399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).