methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate

C11H17N3O2 — CID 62761624

IUPACmethyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate
SMILESCOC(=O)C(NCc1cnccn1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-8(2)10(11(15)16-3)14-7-9-6-12-4-5-13-9/h4-6,8,10,14H,7H2,1-3H3
InChIKeyMVFGJYJSZPOCNX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.76
Rot. Bonds5

About methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate

methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate (PubChem CID 62761624) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate
PubChem CID62761624
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate
SMILESCOC(=O)C(NCc1cnccn1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-8(2)10(11(15)16-3)14-7-9-6-12-4-5-13-9/h4-6,8,10,14H,7H2,1-3H3
InChIKeyMVFGJYJSZPOCNX-UHFFFAOYSA-N
XLogP0.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761626
methyl 2-amino-3-(pyrazin-2-ylmethylsulfonyl)propanoate
CID 68865576
methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
N-ethyl-N-methyl-2-(pyrazin-2-ylmethylamino)propanamide
CID 103107971
2-(pyrazin-2-ylmethylamino)propane-1,3-diol
CID 65312354
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
methyl (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoate
CID 55179474
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091
3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 67707485
methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-3-methylbutanoate
CID 116686269

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate (CID 62761624) is methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate is COC(=O)C(NCc1cnccn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate?
The InChIKey is MVFGJYJSZPOCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)10(11(15)16-3)14-7-9-6-12-4-5-13-9/h4-6,8,10,14H,7H2,1-3H3.
What are the key properties of methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate?
methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate has a molecular weight of 223.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate is sourced from PubChem (CID 62761624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).