2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid

C12H22N2O4 — CID 115430426

IUPAC2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)C1(N)CCOC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-11(4-2,10(16)17)7-14-9(15)12(13)5-6-18-8-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRJLMNIUBEPKXPN-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.11
Rot. Bonds6

About 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid

2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 115430426) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID115430426
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)C1(N)CCOC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-11(4-2,10(16)17)7-14-9(15)12(13)5-6-18-8-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRJLMNIUBEPKXPN-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308644
2-[(3-aminooxolane-3-carbonyl)amino]-2-ethylbutanoic acid
CID 79804531
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide
CID 113335034
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
CID 107222740
3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]oxolane-3-carboxamide
CID 114756831
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-3-carboxamide
CID 106298704
3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 64891038
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid (CID 115430426) is 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)C1(N)CCOC1)C(=O)O.
What is the InChIKey of 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is RJLMNIUBEPKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-11(4-2,10(16)17)7-14-9(15)12(13)5-6-18-8-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).