(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid

C15H21N3O3 — CID 67296752

IUPAC(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid
SMILESC=CCCCCC[C@H](NC(=O)c1cnc(C)cn1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-3-4-5-6-7-8-12(15(20)21)18-14(19)13-10-16-11(2)9-17-13/h3,9-10,12H,1,4-8H2,2H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyVRYQWFBVHILOGF-LBPRGKRZSA-N
MW291.35 g/mol
LogP2.10
Rot. Bonds9

About (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid

(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid (PubChem CID 67296752) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid
PubChem CID67296752
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid
SMILESC=CCCCCC[C@H](NC(=O)c1cnc(C)cn1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-3-4-5-6-7-8-12(15(20)21)18-14(19)13-10-16-11(2)9-17-13/h3,9-10,12H,1,4-8H2,2H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyVRYQWFBVHILOGF-LBPRGKRZSA-N
XLogP2.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]non-8-enoic acid
CID 67296662
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
CID 61152011
(2R)-2-methylnon-8-enoic acid
CID 129385535
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
non-8-en-2-ylcarbamic acid
CID 175945835
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-5-methylpyrazine-2-carboxamide
CID 67556738
(2S)-2-(3-fluoro-5-methylanilino)non-8-enoic acid
CID 58176953
(2S)-2-(4-fluoro-3-methylanilino)non-8-enoic acid
CID 58176629
1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
CID 107012151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid?
The IUPAC name of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid (CID 67296752) is (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid.
What is the SMILES notation for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid?
The canonical SMILES for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid is C=CCCCCC[C@H](NC(=O)c1cnc(C)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid?
The InChIKey is VRYQWFBVHILOGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-4-5-6-7-8-12(15(20)21)18-14(19)13-10-16-11(2)9-17-13/h3,9-10,12H,1,4-8H2,2H3,(H,18,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid?
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]non-8-enoic acid is sourced from PubChem (CID 67296752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).