2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid

C16H30N2O3 — CID 106805862

IUPAC2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid
SMILESCCC(CCCN1CCOC(C)(C)C1)(NC1CC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-16(14(19)20,17-13-6-7-13)8-5-9-18-10-11-21-15(2,3)12-18/h13,17H,4-12H2,1-3H3,(H,19,20)
InChIKeyULEROGKPCDGKNP-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.86
Rot. Bonds8

About 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid

2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid (PubChem CID 106805862) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid
PubChem CID106805862
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid
SMILESCCC(CCCN1CCOC(C)(C)C1)(NC1CC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-16(14(19)20,17-13-6-7-13)8-5-9-18-10-11-21-15(2,3)12-18/h13,17H,4-12H2,1-3H3,(H,19,20)
InChIKeyULEROGKPCDGKNP-UHFFFAOYSA-N
XLogP1.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
CID 43593140
5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806409
4-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 43592480
2-(cyclopropylamino)-2-ethyl-5-(2-hydroxyethylsulfanyl)pentanoic acid
CID 106807263
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;ethane
CID 162683965
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;yttrium
CID 162684002
2-amino-6-(2,2-dimethylmorpholin-4-yl)-2-methylhexan-1-ol
CID 64798764
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid (CID 106805862) is 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid is CCC(CCCN1CCOC(C)(C)C1)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid?
The InChIKey is ULEROGKPCDGKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-16(14(19)20,17-13-6-7-13)8-5-9-18-10-11-21-15(2,3)12-18/h13,17H,4-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid?
2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid is sourced from PubChem (CID 106805862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).