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

C10H18N2O5 — CID 66260092

IUPAC3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
SMILESCCNC1COCC1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-11-7-5-17-4-6(7)9(14)12-3-8(13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyXZRSSRXYTGXQCP-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.83
Rot. Bonds6

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

3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid (PubChem CID 66260092) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
PubChem CID66260092
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
SMILESCCNC1COCC1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-11-7-5-17-4-6(7)9(14)12-3-8(13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyXZRSSRXYTGXQCP-UHFFFAOYSA-N
XLogP-1.83
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
CID 66259127
4-(ethylamino)-N-(2-hydroxy-2-phenylethyl)oxolane-3-carboxamide
CID 66257495
N-(2-cyclopropylpropyl)-4-(ethylamino)oxolane-3-carboxamide
CID 113475270
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(propylamino)oxolane-3-carboxamide
CID 106175544
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
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-(3-methyl-2-pyrrolidin-1-ylbutyl)oxolane-3-carboxamide
CID 66257930
4-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
CID 106291682
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid (CID 66260092) is 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid is CCNC1COCC1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid?
The InChIKey is XZRSSRXYTGXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-11-7-5-17-4-6(7)9(14)12-3-8(13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid?
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66260092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).