methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate

C9H17NO5 — CID 175086585

IUPACmethyl 3-methoxy-2-(methoxycarbonylamino)pentanoate
SMILESCCC(OC)C(NC(=O)OC)C(=O)OC
InChIInChI=1S/C9H17NO5/c1-5-6(13-2)7(8(11)14-3)10-9(12)15-4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyLVAXUYTXGNFLKA-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.31
Rot. Bonds5

About methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate

methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate (PubChem CID 175086585) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-(methoxycarbonylamino)pentanoate
PubChem CID175086585
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namemethyl 3-methoxy-2-(methoxycarbonylamino)pentanoate
SMILESCCC(OC)C(NC(=O)OC)C(=O)OC
InChIInChI=1S/C9H17NO5/c1-5-6(13-2)7(8(11)14-3)10-9(12)15-4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyLVAXUYTXGNFLKA-UHFFFAOYSA-N
XLogP0.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate?
The IUPAC name of methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate (CID 175086585) is methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate?
The canonical SMILES for methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate is CCC(OC)C(NC(=O)OC)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate?
The InChIKey is LVAXUYTXGNFLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-5-6(13-2)7(8(11)14-3)10-9(12)15-4/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate?
methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate has a molecular weight of 219.24 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-(methoxycarbonylamino)pentanoate is sourced from PubChem (CID 175086585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).