(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid

C11H13N3O5 — CID 61152011

IUPAC(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
SMILESCc1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cn1
InChIInChI=1S/C11H13N3O5/c1-6-4-13-8(5-12-6)10(17)14-7(11(18)19)2-3-9(15)16/h4-5,7H,2-3H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m0/s1
InChIKeyBAODERJLBGAKSQ-ZETCQYMHSA-N
MW267.24 g/mol
LogP-0.17
Rot. Bonds6

About (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid

(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid (PubChem CID 61152011) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
PubChem CID61152011
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
SMILESCc1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cn1
InChIInChI=1S/C11H13N3O5/c1-6-4-13-8(5-12-6)10(17)14-7(11(18)19)2-3-9(15)16/h4-5,7H,2-3H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m0/s1
InChIKeyBAODERJLBGAKSQ-ZETCQYMHSA-N
XLogP-0.17
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid
CID 67296752
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid
CID 61153025
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676
(2R)-2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820649
(2S)-2-[5-[(5-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid
CID 130432468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid (CID 61152011) is (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid is Cc1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cn1.
What is the InChIKey of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid?
The InChIKey is BAODERJLBGAKSQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-6-4-13-8(5-12-6)10(17)14-7(11(18)19)2-3-9(15)16/h4-5,7H,2-3H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid?
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid has a molecular weight of 267.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 61152011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).