(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid

C10H12ClN3O2 — CID 175114110

IUPAC(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C10H12ClN3O2/c11-7-1-2-9(12-5-7)13-8-3-4-14(6-8)10(15)16/h1-2,5,8H,3-4,6H2,(H,12,13)(H,15,16)/t8-/m1/s1
InChIKeyJSDQCKWXWHAZGY-MRVPVSSYSA-N
MW241.68 g/mol
LogP1.90
Rot. Bonds2

About (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid

(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 175114110) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID175114110
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C10H12ClN3O2/c11-7-1-2-9(12-5-7)13-8-3-4-14(6-8)10(15)16/h1-2,5,8H,3-4,6H2,(H,12,13)(H,15,16)/t8-/m1/s1
InChIKeyJSDQCKWXWHAZGY-MRVPVSSYSA-N
XLogP1.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 175425604
5-chloro-N-cyclobutylpyridin-2-amine
CID 62414394
3-[[3-(tert-butylcarbamoyl)-5-chloro-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 154499612
N-[4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-methylidenebutanamide
CID 162690060
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 174991980
N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide
CID 162690055
(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 139461300
N-(1-benzoylpiperidin-4-yl)-N'-(5-chloro-2-pyridinyl)oxamide
CID 142691795
(E)-3-[6-[[(3S)-1-(4-chlorobenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 87636752
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid (CID 175114110) is (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is JSDQCKWXWHAZGY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-7-1-2-9(12-5-7)13-8-3-4-14(6-8)10(15)16/h1-2,5,8H,3-4,6H2,(H,12,13)(H,15,16)/t8-/m1/s1.
What are the key properties of (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 241.68 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175114110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).