3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid

C13H17N3O3 — CID 107654401

IUPAC3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C13H17N3O3/c14-13(11(17)18)6-7-16(9-13)12(19)15-8-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,19)(H,17,18)
InChIKeyZJCQWVPGFUFRGB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.38
Rot. Bonds3

About 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid

3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 107654401) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID107654401
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C13H17N3O3/c14-13(11(17)18)6-7-16(9-13)12(19)15-8-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,19)(H,17,18)
InChIKeyZJCQWVPGFUFRGB-UHFFFAOYSA-N
XLogP0.38
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110749470
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107323165
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 107654401) is 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZJCQWVPGFUFRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(11(17)18)6-7-16(9-13)12(19)15-8-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,19)(H,17,18).
What are the key properties of 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107654401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).