4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide

C13H17ClN2O2 — CID 81378149

IUPAC4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
SMILESC[C@H](NC(=O)C1COCC1N)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8(9-4-2-3-5-11(9)14)16-13(17)10-6-18-7-12(10)15/h2-5,8,10,12H,6-7,15H2,1H3,(H,16,17)/t8-,10?,12?/m0/s1
InChIKeyLGSRBHFBFVHEOB-JNHNWMDNSA-N
MW268.74 g/mol
LogP1.49
Rot. Bonds3

About 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide

4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide (PubChem CID 81378149) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
PubChem CID81378149
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
SMILESC[C@H](NC(=O)C1COCC1N)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8(9-4-2-3-5-11(9)14)16-13(17)10-6-18-7-12(10)15/h2-5,8,10,12H,6-7,15H2,1H3,(H,16,17)/t8-,10?,12?/m0/s1
InChIKeyLGSRBHFBFVHEOB-JNHNWMDNSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide
CID 66238450
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
CID 66238425
1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
CID 62362251
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide
CID 66241228
4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
CID 66237272
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide (CID 81378149) is 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide is C[C@H](NC(=O)C1COCC1N)c1ccccc1Cl.
What is the InChIKey of 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is LGSRBHFBFVHEOB-JNHNWMDNSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(9-4-2-3-5-11(9)14)16-13(17)10-6-18-7-12(10)15/h2-5,8,10,12H,6-7,15H2,1H3,(H,16,17)/t8-,10?,12?/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide?
4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 81378149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).