2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid

C13H26N2O5 — CID 61418314

IUPAC2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)N(CCOC)CCOC)C(=O)O
InChIInChI=1S/C13H26N2O5/c1-4-5-6-11(12(16)17)14-13(18)15(7-9-19-2)8-10-20-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZOLYFCYZSCSFNM-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.93
Rot. Bonds11

About 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid

2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid (PubChem CID 61418314) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
PubChem CID61418314
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)N(CCOC)CCOC)C(=O)O
InChIInChI=1S/C13H26N2O5/c1-4-5-6-11(12(16)17)14-13(18)15(7-9-19-2)8-10-20-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZOLYFCYZSCSFNM-UHFFFAOYSA-N
XLogP0.93
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid (CID 61418314) is 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid is CCCCC(NC(=O)N(CCOC)CCOC)C(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid?
The InChIKey is ZOLYFCYZSCSFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-4-5-6-11(12(16)17)14-13(18)15(7-9-19-2)8-10-20-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid?
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid has a molecular weight of 290.36 g/mol, XLogP of 0.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 61418314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).