(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid

C13H14ClN5O2 — CID 122552575

IUPAC(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid
SMILESNc1cnc2ccc(Cl)nc2c1N[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C13H14ClN5O2/c14-10-2-1-9-12(18-10)11(8(15)5-16-9)17-7-3-4-19(6-7)13(20)21/h1-2,5,7H,3-4,6,15H2,(H,16,17)(H,20,21)/t7-/m0/s1
InChIKeyHWYHCNPHEWFBOI-ZETCQYMHSA-N
MW307.74 g/mol
LogP2.03
Rot. Bonds2

About (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid

(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 122552575) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID122552575
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid
SMILESNc1cnc2ccc(Cl)nc2c1N[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C13H14ClN5O2/c14-10-2-1-9-12(18-10)11(8(15)5-16-9)17-7-3-4-19(6-7)13(20)21/h1-2,5,7H,3-4,6,15H2,(H,16,17)(H,20,21)/t7-/m0/s1
InChIKeyHWYHCNPHEWFBOI-ZETCQYMHSA-N
XLogP2.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl (3R)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate
CID 118101718
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 175425604
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310
3-(2-amino-6-chloroanilino)azepane-1-carboxylic acid
CID 170309032
(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 175353031
(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamoylamino)pyrrolidine-1-carboxylic acid
CID 140552160
tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine
CID 144847195
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid
CID 170311521
(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid
CID 175336680
3-[[3-(tert-butylcarbamoyl)-5-chloro-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 154499612

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid (CID 122552575) is (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid is Nc1cnc2ccc(Cl)nc2c1N[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is HWYHCNPHEWFBOI-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c14-10-2-1-9-12(18-10)11(8(15)5-16-9)17-7-3-4-19(6-7)13(20)21/h1-2,5,7H,3-4,6,15H2,(H,16,17)(H,20,21)/t7-/m0/s1.
What are the key properties of (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid?
(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 307.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 122552575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).