(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide

C13H17NO2 — CID 896917

IUPAC(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-6-3-2-4-7-11)14-13(15)12-8-5-9-16-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyIMKSUXZGXPOISN-JQWIXIFHSA-N
MW219.28 g/mol
LogP2.04
Rot. Bonds3

About (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide

(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide (PubChem CID 896917) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
PubChem CID896917
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-6-3-2-4-7-11)14-13(15)12-8-5-9-16-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyIMKSUXZGXPOISN-JQWIXIFHSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide
CID 55242926
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide (CID 896917) is (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide?
The InChIKey is IMKSUXZGXPOISN-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-6-3-2-4-7-11)14-13(15)12-8-5-9-16-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,14,15)/t10-,12-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide?
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 896917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).