2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid

C15H30N2O3 — CID 106805798

IUPAC2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN1CCOCC1C)(NC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-15(14(18)19,16-12(2)3)7-6-8-17-9-10-20-11-13(17)4/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyCCXHZOASFMNBRI-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.72
Rot. Bonds8

About 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid

2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106805798) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid
PubChem CID106805798
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN1CCOCC1C)(NC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-15(14(18)19,16-12(2)3)7-6-8-17-9-10-20-11-13(17)4/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyCCXHZOASFMNBRI-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
CID 106807068
5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62421023
2-(cyclopropylamino)-2-ethyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 106809241
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine
CID 65295808
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
N-ethyl-4-(3-methylmorpholin-4-yl)butan-1-amine
CID 62421385
2-amino-2-methyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64796610

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid (CID 106805798) is 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid is CCC(CCCN1CCOCC1C)(NC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is CCXHZOASFMNBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-15(14(18)19,16-12(2)3)7-6-8-17-9-10-20-11-13(17)4/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid?
2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106805798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).