N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide

C10H19NO4 — CID 103890903

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCCO1
InChIInChI=1S/C10H19NO4/c1-2-10(6-12,7-13)11-9(14)8-4-3-5-15-8/h8,12-13H,2-7H2,1H3,(H,11,14)
InChIKeyVGPDZOIULJTHHX-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.58
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide (PubChem CID 103890903) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
PubChem CID103890903
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCCO1
InChIInChI=1S/C10H19NO4/c1-2-10(6-12,7-13)11-9(14)8-4-3-5-15-8/h8,12-13H,2-7H2,1H3,(H,11,14)
InChIKeyVGPDZOIULJTHHX-UHFFFAOYSA-N
XLogP-0.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
CID 107865565
tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate
CID 95331048
N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
CID 106169618
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide (CID 103890903) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide is CCC(CO)(CO)NC(=O)C1CCCO1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide?
The InChIKey is VGPDZOIULJTHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-10(6-12,7-13)11-9(14)8-4-3-5-15-8/h8,12-13H,2-7H2,1H3,(H,11,14).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide has a molecular weight of 217.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 103890903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).