3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

C11H12ClN3O3 — CID 107322971

IUPAC3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C11H12ClN3O3/c12-7-1-2-8(14-5-7)9(16)15-4-3-11(13,6-15)10(17)18/h1-2,5H,3-4,6,13H2,(H,17,18)
InChIKeyIUASCPGMUSSACQ-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.36
Rot. Bonds2

About 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107322971) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107322971
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C11H12ClN3O3/c12-7-1-2-8(14-5-7)9(16)15-4-3-11(13,6-15)10(17)18/h1-2,5H,3-4,6,13H2,(H,17,18)
InChIKeyIUASCPGMUSSACQ-UHFFFAOYSA-N
XLogP0.36
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
CID 113364813
3-amino-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323724
3-amino-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 107322916
3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323701
2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598609
3-amino-1-(4-chloro-2,5-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323452
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038922

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 107322971) is 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)c2ccc(Cl)cn2)C1.
What is the InChIKey of 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IUASCPGMUSSACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-7-1-2-8(14-5-7)9(16)15-4-3-11(13,6-15)10(17)18/h1-2,5H,3-4,6,13H2,(H,17,18).
What are the key properties of 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.69 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107322971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).