3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide

C14H20N2O2 — CID 81380051

IUPAC3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-4-6-12(10)11(2)16-13(17)14(15)7-8-18-9-14/h3-6,11H,7-9,15H2,1-2H3,(H,16,17)/t11-,14?/m1/s1
InChIKeyRGXAPONSINSLBO-YNODCEANSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds3

About 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide

3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 81380051) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
PubChem CID81380051
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-4-6-12(10)11(2)16-13(17)14(15)7-8-18-9-14/h3-6,11H,7-9,15H2,1-2H3,(H,16,17)/t11-,14?/m1/s1
InChIKeyRGXAPONSINSLBO-YNODCEANSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934
3-amino-N-[1-(2,6-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892539
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097
3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64892125
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide (CID 81380051) is 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide is Cc1ccccc1[C@@H](C)NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is RGXAPONSINSLBO-YNODCEANSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-3-4-6-12(10)11(2)16-13(17)14(15)7-8-18-9-14/h3-6,11H,7-9,15H2,1-2H3,(H,16,17)/t11-,14?/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 81380051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).