[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate

C10H17NO4 — CID 95616449

IUPAC[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate
SMILESCOC(=O)NCCC(=O)OC[C@H]1C[C@@H]1C
InChIInChI=1S/C10H17NO4/c1-7-5-8(7)6-15-9(12)3-4-11-10(13)14-2/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyZPEIHWUXUJMBFW-JGVFFNPUSA-N
MW215.25 g/mol
LogP0.93
Rot. Bonds5

About [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate

[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate (PubChem CID 95616449) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate
PubChem CID95616449
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate
SMILESCOC(=O)NCCC(=O)OC[C@H]1C[C@@H]1C
InChIInChI=1S/C10H17NO4/c1-7-5-8(7)6-15-9(12)3-4-11-10(13)14-2/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyZPEIHWUXUJMBFW-JGVFFNPUSA-N
XLogP0.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate?
The IUPAC name of [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate (CID 95616449) is [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate.
What is the SMILES notation for [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate?
The canonical SMILES for [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate is COC(=O)NCCC(=O)OC[C@H]1C[C@@H]1C.
What is the InChIKey of [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate?
The InChIKey is ZPEIHWUXUJMBFW-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7-5-8(7)6-15-9(12)3-4-11-10(13)14-2/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate?
[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate has a molecular weight of 215.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate is sourced from PubChem (CID 95616449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).