2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid

C13H26N2O3 — CID 106805981

IUPAC2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
SMILESCCC(N)(CCCN(C)CC1CCCO1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-13(14,12(16)17)7-5-8-15(2)10-11-6-4-9-18-11/h11H,3-10,14H2,1-2H3,(H,16,17)
InChIKeyZTWLPJZZEXFLCC-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.07
Rot. Bonds8

About 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid

2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid (PubChem CID 106805981) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
PubChem CID106805981
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
SMILESCCC(N)(CCCN(C)CC1CCCO1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-13(14,12(16)17)7-5-8-15(2)10-11-6-4-9-18-11/h11H,3-10,14H2,1-2H3,(H,16,17)
InChIKeyZTWLPJZZEXFLCC-UHFFFAOYSA-N
XLogP1.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 114996677
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
2-amino-4-[methyl(oxolan-2-ylmethyl)amino]butanamide
CID 63054294
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
2-amino-2-cyclopropyl-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 63911354

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid (CID 106805981) is 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid is CCC(N)(CCCN(C)CC1CCCO1)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid?
The InChIKey is ZTWLPJZZEXFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-13(14,12(16)17)7-5-8-15(2)10-11-6-4-9-18-11/h11H,3-10,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid?
2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 106805981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).