(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid

C13H15N3O4 — CID 95121214

IUPAC(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCCN1C[C@H](C(=O)O)CC1=O)c1ccncc1
InChIInChI=1S/C13H15N3O4/c17-11-7-10(13(19)20)8-16(11)6-5-15-12(18)9-1-3-14-4-2-9/h1-4,10H,5-8H2,(H,15,18)(H,19,20)/t10-/m1/s1
InChIKeyRXLLSKXDMGLNLR-SNVBAGLBSA-N
MW277.28 g/mol
LogP-0.26
Rot. Bonds5

About (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid

(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 95121214) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID95121214
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCCN1C[C@H](C(=O)O)CC1=O)c1ccncc1
InChIInChI=1S/C13H15N3O4/c17-11-7-10(13(19)20)8-16(11)6-5-15-12(18)9-1-3-14-4-2-9/h1-4,10H,5-8H2,(H,15,18)(H,19,20)/t10-/m1/s1
InChIKeyRXLLSKXDMGLNLR-SNVBAGLBSA-N
XLogP-0.26
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]pyridine-4-carboxamide
CID 110707136
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-[2-(benzylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691354
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691772
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42882093
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide
CID 29134927
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 95121214) is (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid is O=C(NCCN1C[C@H](C(=O)O)CC1=O)c1ccncc1.
What is the InChIKey of (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RXLLSKXDMGLNLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-11-7-10(13(19)20)8-16(11)6-5-15-12(18)9-1-3-14-4-2-9/h1-4,10H,5-8H2,(H,15,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid?
(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95121214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).