N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide

C10H20N2O3 — CID 114826417

IUPACN-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(N)C(C)O)CO1
InChIInChI=1S/C10H20N2O3/c1-6-3-8(5-15-6)10(14)12-4-9(11)7(2)13/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyIFQKUJHEMZGIHG-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.76
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide

N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide (PubChem CID 114826417) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
PubChem CID114826417
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(N)C(C)O)CO1
InChIInChI=1S/C10H20N2O3/c1-6-3-8(5-15-6)10(14)12-4-9(11)7(2)13/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyIFQKUJHEMZGIHG-UHFFFAOYSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
CID 102677242
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
CID 64542327
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 103153048
N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160350
3-hydroxy-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824297

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide (CID 114826417) is N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCC(N)C(C)O)CO1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide?
The InChIKey is IFQKUJHEMZGIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6-3-8(5-15-6)10(14)12-4-9(11)7(2)13/h6-9,13H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide?
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114826417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).