(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid

C10H11ClN4O4 — CID 114037303

IUPAC(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1ccc(Cl)nn1)C(=O)O
InChIInChI=1S/C10H11ClN4O4/c11-7-3-1-5(14-15-7)9(17)13-6(10(18)19)2-4-8(12)16/h1,3,6H,2,4H2,(H2,12,16)(H,13,17)(H,18,19)/t6-/m1/s1
InChIKeyGXVDKASZFSVYOX-ZCFIWIBFSA-N
MW286.67 g/mol
LogP-0.42
Rot. Bonds6

About (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 114037303) has the molecular formula C10H11ClN4O4 and a molecular weight of 286.67 g/mol. Its IUPAC name is (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
PubChem CID114037303
Molecular FormulaC10H11ClN4O4
Molecular Weight286.67 g/mol
Exact Mass286.05
IUPAC Name(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1ccc(Cl)nn1)C(=O)O
InChIInChI=1S/C10H11ClN4O4/c11-7-3-1-5(14-15-7)9(17)13-6(10(18)19)2-4-8(12)16/h1,3,6H,2,4H2,(H2,12,16)(H,13,17)(H,18,19)/t6-/m1/s1
InChIKeyGXVDKASZFSVYOX-ZCFIWIBFSA-N
XLogP-0.42
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
CID 63283012
(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 61144475
(2S)-5-amino-2-[(2-chloro-5-hydroxybenzoyl)amino]-5-oxopentanoic acid
CID 106500238
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 43176070
(2R)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107829776
5-amino-2-[(3-bromo-5-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 107937702
6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid (CID 114037303) is (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)nn1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is GXVDKASZFSVYOX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11ClN4O4/c11-7-3-1-5(14-15-7)9(17)13-6(10(18)19)2-4-8(12)16/h1,3,6H,2,4H2,(H2,12,16)(H,13,17)(H,18,19)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 286.67 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 114037303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).