N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide

C8H14N2O3 — CID 81450030

IUPACN-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(N)=O
InChIInChI=1S/C8H14N2O3/c1-5-2-3-13-7(5)8(12)10-4-6(9)11/h5,7H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyIKJMLKYWJGPQIW-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.99
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide

N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide (PubChem CID 81450030) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
PubChem CID81450030
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(N)=O
InChIInChI=1S/C8H14N2O3/c1-5-2-3-13-7(5)8(12)10-4-6(9)11/h5,7H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyIKJMLKYWJGPQIW-UHFFFAOYSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-(4-bromobutyl)-3-methyloxolane-2-carboxamide
CID 106845690
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
CID 107157668
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
CID 113264520
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
CID 107474033

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide (CID 81450030) is N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide?
The InChIKey is IKJMLKYWJGPQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5-2-3-13-7(5)8(12)10-4-6(9)11/h5,7H,2-4H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide?
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 81450030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).