methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate

C14H18N2O3 — CID 99795385

IUPACmethyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccncc1)C1CCC1
InChIInChI=1S/C14H18N2O3/c1-10(14(18)19-2)16(12-4-3-5-12)13(17)11-6-8-15-9-7-11/h6-10,12H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyOOXWWGCJUZBWAU-JTQLQIEISA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds4

About methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate

methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate (PubChem CID 99795385) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
PubChem CID99795385
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccncc1)C1CCC1
InChIInChI=1S/C14H18N2O3/c1-10(14(18)19-2)16(12-4-3-5-12)13(17)11-6-8-15-9-7-11/h6-10,12H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyOOXWWGCJUZBWAU-JTQLQIEISA-N
XLogP1.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate (CID 99795385) is methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate is COC(=O)[C@H](C)N(C(=O)c1ccncc1)C1CCC1.
What is the InChIKey of methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate?
The InChIKey is OOXWWGCJUZBWAU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(14(18)19-2)16(12-4-3-5-12)13(17)11-6-8-15-9-7-11/h6-10,12H,3-5H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate?
methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate has a molecular weight of 262.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 99795385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).