4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid

C13H26N2O3 — CID 82743312

IUPAC4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-7-14-11(13(16)17)5-8-15(3)12-6-9-18-10(12)2/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyLKFUGPWIRUOABW-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds8

About 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid

4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid (PubChem CID 82743312) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
PubChem CID82743312
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
SMILESCCCNC(CCN(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-7-14-11(13(16)17)5-8-15(3)12-6-9-18-10(12)2/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyLKFUGPWIRUOABW-UHFFFAOYSA-N
XLogP0.94
TPSA61.80 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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
CID 55144677
(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
CID 107567425
2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82740401
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
2-(ethylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82743952
N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
CID 82743525
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid?
The IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid (CID 82743312) is 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid?
The canonical SMILES for 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid is CCCNC(CCN(C)C1CCOC1C)C(=O)O.
What is the InChIKey of 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid?
The InChIKey is LKFUGPWIRUOABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-7-14-11(13(16)17)5-8-15(3)12-6-9-18-10(12)2/h10-12,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid?
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid is sourced from PubChem (CID 82743312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).