3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid

C11H14N4O3 — CID 107325196

IUPAC3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESNC(=O)c1ccnc(N2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C11H14N4O3/c12-9(16)7-1-3-14-8(5-7)15-4-2-11(13,6-15)10(17)18/h1,3,5H,2,4,6,13H2,(H2,12,16)(H,17,18)
InChIKeyKVNLBELACLDUEO-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.83
Rot. Bonds3

About 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid

3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 107325196) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID107325196
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESNC(=O)c1ccnc(N2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C11H14N4O3/c12-9(16)7-1-3-14-8(5-7)15-4-2-11(13,6-15)10(17)18/h1,3,5H,2,4,6,13H2,(H2,12,16)(H,17,18)
InChIKeyKVNLBELACLDUEO-UHFFFAOYSA-N
XLogP-0.83
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-carbamoyl-2-pyridinyl)-4-methylpiperidine-4-carboxylic acid
CID 63124598
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
8-(4-carbamoyl-2-pyridinyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56883887
3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325252
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-4-carboxamide
CID 138380561
2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide
CID 97129231
2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]pyridine-4-carboxamide
CID 56757810
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
CID 95228012
2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide
CID 39776331
3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325271
3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325250
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid (CID 107325196) is 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid is NC(=O)c1ccnc(N2CCC(N)(C(=O)O)C2)c1.
What is the InChIKey of 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KVNLBELACLDUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-9(16)7-1-3-14-8(5-7)15-4-2-11(13,6-15)10(17)18/h1,3,5H,2,4,6,13H2,(H2,12,16)(H,17,18).
What are the key properties of 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).