5-(ethoxycarbonylamino)hexanoic acid

C9H17NO4 — CID 82855012

IUPAC5-(ethoxycarbonylamino)hexanoic acid
SMILESCCOC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-3-14-9(13)10-7(2)5-4-6-8(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyAWBJAEOALMVYPQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.38
Rot. Bonds6

About 5-(ethoxycarbonylamino)hexanoic acid

5-(ethoxycarbonylamino)hexanoic acid (PubChem CID 82855012) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(ethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(ethoxycarbonylamino)hexanoic acid
PubChem CID82855012
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-(ethoxycarbonylamino)hexanoic acid
SMILESCCOC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-3-14-9(13)10-7(2)5-4-6-8(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyAWBJAEOALMVYPQ-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
5-(ethoxycarbonylsulfamoylamino)hexanoic acid
CID 114463014
5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
CID 82848167
ethyl N-(5-cyanopentan-2-yl)carbamate
CID 45120210
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
CID 82846274
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
5-(propan-2-ylamino)hexanoic acid
CID 82848277
18-ethoxy-17-ethoxycarbonyl-18-oxooctadecanoic acid
CID 86116026

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxycarbonylamino)hexanoic acid?
The IUPAC name of 5-(ethoxycarbonylamino)hexanoic acid (CID 82855012) is 5-(ethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 5-(ethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 5-(ethoxycarbonylamino)hexanoic acid is CCOC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-(ethoxycarbonylamino)hexanoic acid?
The InChIKey is AWBJAEOALMVYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-14-9(13)10-7(2)5-4-6-8(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 5-(ethoxycarbonylamino)hexanoic acid?
5-(ethoxycarbonylamino)hexanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 82855012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).