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

C11H20N2O5 — CID 107836138

IUPAC4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCCNC1COCC1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-12-8-6-18-5-7(8)10(15)13-4-3-9(14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyPIEVTOZPCAHXLR-UHFFFAOYSA-N
MW260.29 g/mol
LogP-1.44
Rot. Bonds7

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

4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 107836138) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID107836138
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCCNC1COCC1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-12-8-6-18-5-7(8)10(15)13-4-3-9(14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyPIEVTOZPCAHXLR-UHFFFAOYSA-N
XLogP-1.44
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092
6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
CID 66257371
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
CID 66259127
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 114005252
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
4-(ethylamino)-N-(2-morpholin-4-ylethyl)oxolane-3-carboxamide
CID 66260000
4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
CID 82941679

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid (CID 107836138) is 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid is CCNC1COCC1C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is PIEVTOZPCAHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-12-8-6-18-5-7(8)10(15)13-4-3-9(14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid?
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).