2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid

C12H24N2O3 — CID 64709975

IUPAC2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
SMILESCCC1CN(C(C)CC(C)(N)C(=O)O)CCO1
InChIInChI=1S/C12H24N2O3/c1-4-10-8-14(5-6-17-10)9(2)7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyDOVJEEVJRMSJIB-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.68
Rot. Bonds5

About 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid

2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid (PubChem CID 64709975) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
PubChem CID64709975
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
SMILESCCC1CN(C(C)CC(C)(N)C(=O)O)CCO1
InChIInChI=1S/C12H24N2O3/c1-4-10-8-14(5-6-17-10)9(2)7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyDOVJEEVJRMSJIB-UHFFFAOYSA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711142
3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 60913991
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
CID 64725193
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857
methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
CID 79406097
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 76883581
2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
CID 62949677
3-(2-ethylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408999
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
1-(2-ethylmorpholin-4-yl)-3-methylbutan-2-one
CID 79396089

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid?
The IUPAC name of 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid (CID 64709975) is 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid is CCC1CN(C(C)CC(C)(N)C(=O)O)CCO1.
What is the InChIKey of 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid?
The InChIKey is DOVJEEVJRMSJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-10-8-14(5-6-17-10)9(2)7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid?
2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid is sourced from PubChem (CID 64709975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).