2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid

C14H28N2O3 — CID 82744273

IUPAC2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
SMILESCCNC(C)(CCCN(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-15-14(3,13(17)18)8-6-9-16(4)12-7-10-19-11(12)2/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyNWWREHQRDFVESY-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.33
Rot. Bonds8

About 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid

2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid (PubChem CID 82744273) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
PubChem CID82744273
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
SMILESCCNC(C)(CCCN(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-15-14(3,13(17)18)8-6-9-16(4)12-7-10-19-11(12)2/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyNWWREHQRDFVESY-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82749198
2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743702
2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743387
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743708
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate
CID 82731222
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
CID 82748408
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743553
2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 106803917

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid (CID 82744273) is 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid is CCNC(C)(CCCN(C)C1CCOC1C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid?
The InChIKey is NWWREHQRDFVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-15-14(3,13(17)18)8-6-9-16(4)12-7-10-19-11(12)2/h11-12,15H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid?
2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 82744273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).