propyl 2-(methoxycarbonylamino)hexanoate

C11H21NO4 — CID 91718656

IUPACpropyl 2-(methoxycarbonylamino)hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)OCCC
InChIInChI=1S/C11H21NO4/c1-4-6-7-9(12-11(14)15-3)10(13)16-8-5-2/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyLZNCWJVKFMSXIG-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.85
Rot. Bonds7

About propyl 2-(methoxycarbonylamino)hexanoate

propyl 2-(methoxycarbonylamino)hexanoate (PubChem CID 91718656) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is propyl 2-(methoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namepropyl 2-(methoxycarbonylamino)hexanoate
PubChem CID91718656
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namepropyl 2-(methoxycarbonylamino)hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)OCCC
InChIInChI=1S/C11H21NO4/c1-4-6-7-9(12-11(14)15-3)10(13)16-8-5-2/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyLZNCWJVKFMSXIG-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 91718605
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017
propyl 2-(2-methylpropoxycarbonylamino)hexanoate
CID 91729852
propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379384
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437
butyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379373
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
propyl 2-methylhexanoate
CID 15464658

Frequently Asked Questions

What is the IUPAC name of propyl 2-(methoxycarbonylamino)hexanoate?
The IUPAC name of propyl 2-(methoxycarbonylamino)hexanoate (CID 91718656) is propyl 2-(methoxycarbonylamino)hexanoate.
What is the SMILES notation for propyl 2-(methoxycarbonylamino)hexanoate?
The canonical SMILES for propyl 2-(methoxycarbonylamino)hexanoate is CCCCC(NC(=O)OC)C(=O)OCCC.
What is the InChIKey of propyl 2-(methoxycarbonylamino)hexanoate?
The InChIKey is LZNCWJVKFMSXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-6-7-9(12-11(14)15-3)10(13)16-8-5-2/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of propyl 2-(methoxycarbonylamino)hexanoate?
propyl 2-(methoxycarbonylamino)hexanoate has a molecular weight of 231.29 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(methoxycarbonylamino)hexanoate is sourced from PubChem (CID 91718656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).