methyl 6-(methoxycarbonylamino)-4-oxohexanoate

C9H15NO5 — CID 58422080

IUPACmethyl 6-(methoxycarbonylamino)-4-oxohexanoate
SMILESCOC(=O)CCC(=O)CCNC(=O)OC
InChIInChI=1S/C9H15NO5/c1-14-8(12)4-3-7(11)5-6-10-9(13)15-2/h3-6H2,1-2H3,(H,10,13)
InChIKeySQTYUZHNBYUOET-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.25
Rot. Bonds6

About methyl 6-(methoxycarbonylamino)-4-oxohexanoate

methyl 6-(methoxycarbonylamino)-4-oxohexanoate (PubChem CID 58422080) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 6-(methoxycarbonylamino)-4-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-(methoxycarbonylamino)-4-oxohexanoate
PubChem CID58422080
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namemethyl 6-(methoxycarbonylamino)-4-oxohexanoate
SMILESCOC(=O)CCC(=O)CCNC(=O)OC
InChIInChI=1S/C9H15NO5/c1-14-8(12)4-3-7(11)5-6-10-9(13)15-2/h3-6H2,1-2H3,(H,10,13)
InChIKeySQTYUZHNBYUOET-UHFFFAOYSA-N
XLogP0.25
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-(methoxycarbonylamino)-4-oxohexanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285
methyl 3-(acetyloxycarbonylamino)propanoate
CID 174888449
8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dioxooctanoic acid
CID 175573604
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methane;methyl 6-(methoxycarbonylamino)hexanoate;methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate;hydroiodide
CID 158570553
methyl 6,6-dimethyl-4-oxoheptanoate
CID 13350540
methyl 3-(carboniodidoylamino)propanoate
CID 129042204

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methoxycarbonylamino)-4-oxohexanoate?
The IUPAC name of methyl 6-(methoxycarbonylamino)-4-oxohexanoate (CID 58422080) is methyl 6-(methoxycarbonylamino)-4-oxohexanoate.
What is the SMILES notation for methyl 6-(methoxycarbonylamino)-4-oxohexanoate?
The canonical SMILES for methyl 6-(methoxycarbonylamino)-4-oxohexanoate is COC(=O)CCC(=O)CCNC(=O)OC.
What is the InChIKey of methyl 6-(methoxycarbonylamino)-4-oxohexanoate?
The InChIKey is SQTYUZHNBYUOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-14-8(12)4-3-7(11)5-6-10-9(13)15-2/h3-6H2,1-2H3,(H,10,13).
What are the key properties of methyl 6-(methoxycarbonylamino)-4-oxohexanoate?
methyl 6-(methoxycarbonylamino)-4-oxohexanoate has a molecular weight of 217.22 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methoxycarbonylamino)-4-oxohexanoate is sourced from PubChem (CID 58422080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).