4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid

C10H12ClN3O3 — CID 103094277

IUPAC4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H12ClN3O3/c11-6-2-1-5-13-9(6)14-10(17)7(12)3-4-8(15)16/h1-2,5,7H,3-4,12H2,(H,15,16)(H,13,14,17)
InChIKeyQXQWTSBQYNAPGK-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.87
Rot. Bonds5

About 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid

4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 103094277) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID103094277
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H12ClN3O3/c11-6-2-1-5-13-9(6)14-10(17)7(12)3-4-8(15)16/h1-2,5,7H,3-4,12H2,(H,15,16)(H,13,14,17)
InChIKeyQXQWTSBQYNAPGK-UHFFFAOYSA-N
XLogP0.87
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
CID 113392266
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)pentanamide
CID 107570512
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid (CID 103094277) is 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)Nc1ncccc1Cl.
What is the InChIKey of 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is QXQWTSBQYNAPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-6-2-1-5-13-9(6)14-10(17)7(12)3-4-8(15)16/h1-2,5,7H,3-4,12H2,(H,15,16)(H,13,14,17).
What are the key properties of 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid?
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 257.68 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 103094277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).