3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid

C13H26N2O4 — CID 82951881

IUPAC3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N(CCOC)C(C)C
InChIInChI=1S/C13H26N2O4/c1-5-6-11(9-12(16)17)14-13(18)15(10(2)3)7-8-19-4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyNAIAGERXEFZSFC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds9

About 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid

3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid (PubChem CID 82951881) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid
PubChem CID82951881
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N(CCOC)C(C)C
InChIInChI=1S/C13H26N2O4/c1-5-6-11(9-12(16)17)14-13(18)15(10(2)3)7-8-19-4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyNAIAGERXEFZSFC-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N(6)-(2-Hydroxyethylcarbamoyl)-L-lysine
CID 124701
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63832123
3-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]hexanoic acid
CID 81979248
3-[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]hexanoic acid
CID 105918974
3-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 107481736
3-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 107481960
2-[1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114128586
(2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid
CID 18648827
6-Amino-2-(morpholine-4-carbonylamino)hexanoic acid
CID 19810453
2-(Butylcarbamoylamino)ethyl 6-hydroxyhexanoate
CID 59135543
2-Amino-6-(morpholine-4-carbonylamino)hexanoic acid
CID 67831918
(2S)-2-amino-6-(morpholine-4-carbonylamino)hexanoic acid
CID 67831919

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid (CID 82951881) is 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid is CCCC(CC(=O)O)NC(=O)N(CCOC)C(C)C.
What is the InChIKey of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
The InChIKey is NAIAGERXEFZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-6-11(9-12(16)17)14-13(18)15(10(2)3)7-8-19-4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82951881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).