ethyl 2-(methoxycarbonylamino)hexanoate

C10H19NO4 — CID 91718664

IUPACethyl 2-(methoxycarbonylamino)hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-4-6-7-8(9(12)15-5-2)11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyPJUNZIBUMMJFDS-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds6

About ethyl 2-(methoxycarbonylamino)hexanoate

ethyl 2-(methoxycarbonylamino)hexanoate (PubChem CID 91718664) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-(methoxycarbonylamino)hexanoate.

Molecular Properties

Compound Nameethyl 2-(methoxycarbonylamino)hexanoate
PubChem CID91718664
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-(methoxycarbonylamino)hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-4-6-7-8(9(12)15-5-2)11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyPJUNZIBUMMJFDS-UHFFFAOYSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 91718605
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
ethyl (2S)-4-chloro-2-(methoxycarbonylamino)butanoate;hydrochloride
CID 170946491
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
CID 139792827
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
butyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379373
ethyl 2-methylhexanoate
CID 12714009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxycarbonylamino)hexanoate?
The IUPAC name of ethyl 2-(methoxycarbonylamino)hexanoate (CID 91718664) is ethyl 2-(methoxycarbonylamino)hexanoate.
What is the SMILES notation for ethyl 2-(methoxycarbonylamino)hexanoate?
The canonical SMILES for ethyl 2-(methoxycarbonylamino)hexanoate is CCCCC(NC(=O)OC)C(=O)OCC.
What is the InChIKey of ethyl 2-(methoxycarbonylamino)hexanoate?
The InChIKey is PJUNZIBUMMJFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-6-7-8(9(12)15-5-2)11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-(methoxycarbonylamino)hexanoate?
ethyl 2-(methoxycarbonylamino)hexanoate has a molecular weight of 217.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxycarbonylamino)hexanoate is sourced from PubChem (CID 91718664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).