methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate

C19H27N3O4 — CID 71525400

IUPACmethyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate
SMILESCOC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-19(2,3)15(18(24)25-4)22-16(23)13-9-20-14(12-7-8-12)17(21-13)26-10-11-5-6-11/h9,11-12,15H,5-8,10H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyWHWQEBPAQXENSZ-OAHLLOKOSA-N
MW361.44 g/mol
LogP2.46
Rot. Bonds7

About methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate

methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate (PubChem CID 71525400) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate
PubChem CID71525400
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate
SMILESCOC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-19(2,3)15(18(24)25-4)22-16(23)13-9-20-14(12-7-8-12)17(21-13)26-10-11-5-6-11/h9,11-12,15H,5-8,10H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyWHWQEBPAQXENSZ-OAHLLOKOSA-N
XLogP2.46
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate?
The IUPAC name of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate (CID 71525400) is methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate?
The canonical SMILES for methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate is COC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate?
The InChIKey is WHWQEBPAQXENSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(2,3)15(18(24)25-4)22-16(23)13-9-20-14(12-7-8-12)17(21-13)26-10-11-5-6-11/h9,11-12,15H,5-8,10H2,1-4H3,(H,22,23)/t15-/m1/s1.
What are the key properties of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate?
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate has a molecular weight of 361.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate is sourced from PubChem (CID 71525400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).