3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid

C12H22N2O4 — CID 66267433

IUPAC3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCN(C(=O)C1COCC1NC)C(C)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-14(8(2)5-11(15)16)12(17)9-6-18-7-10(9)13-3/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyJEURNZXTKZPUII-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.07
Rot. Bonds6

About 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid

3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid (PubChem CID 66267433) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
PubChem CID66267433
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCN(C(=O)C1COCC1NC)C(C)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-14(8(2)5-11(15)16)12(17)9-6-18-7-10(9)13-3/h8-10,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyJEURNZXTKZPUII-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
N-(cyclopropylmethyl)-4-(methylamino)-N-propan-2-yloxolane-3-carboxamide
CID 66267230
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 66267231
N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
CID 66265969
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(propylamino)oxolane-3-carboxamide
CID 103188711
3-[1,4-dioxane-2-carbonyl(ethyl)amino]butanoic acid
CID 62822627
N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66267387
2-[cyclopentyl-[4-(methylamino)oxolane-3-carbonyl]amino]acetic acid
CID 66265046
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266610
(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751
4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
CID 66264849

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid (CID 66267433) is 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid is CCN(C(=O)C1COCC1NC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid?
The InChIKey is JEURNZXTKZPUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-14(8(2)5-11(15)16)12(17)9-6-18-7-10(9)13-3/h8-10,13H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid?
3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 66267433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).