methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate

C20H26N2O4 — CID 71087544

IUPACmethyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H26N2O4/c1-25-20(24)17(10-12-2-3-12)21-18(23)16-9-8-15(14-6-7-14)19(22-16)26-11-13-4-5-13/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKUPGJRNWKJMFBK-KRWDZBQOSA-N
MW358.44 g/mol
LogP2.82
Rot. Bonds9

About methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate

methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate (PubChem CID 71087544) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
PubChem CID71087544
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H26N2O4/c1-25-20(24)17(10-12-2-3-12)21-18(23)16-9-8-15(14-6-7-14)19(22-16)26-11-13-4-5-13/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKUPGJRNWKJMFBK-KRWDZBQOSA-N
XLogP2.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate (CID 71087544) is methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate is COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate?
The InChIKey is KUPGJRNWKJMFBK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-25-20(24)17(10-12-2-3-12)21-18(23)16-9-8-15(14-6-7-14)19(22-16)26-11-13-4-5-13/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate?
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate has a molecular weight of 358.44 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 71087544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).