3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid

C12H22N2O4 — CID 113307998

IUPAC3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCCNC1COCC1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-13-9-6-18-5-8(9)10(15)14-7-12(2,3)11(16)17/h8-9,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyAUNJPJZUTSQMMX-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.16
Rot. Bonds6

About 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid

3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 113307998) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID113307998
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCCNC1COCC1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-13-9-6-18-5-8(9)10(15)14-7-12(2,3)11(16)17/h8-9,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyAUNJPJZUTSQMMX-UHFFFAOYSA-N
XLogP-0.16
TPSA87.66 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 ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66259668
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
4-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
CID 106291682
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092
4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide
CID 82724349
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
CID 66259127
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 113307998) is 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid is CCNC1COCC1C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is AUNJPJZUTSQMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-13-9-6-18-5-8(9)10(15)14-7-12(2,3)11(16)17/h8-9,13H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113307998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).