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

C13H18N2O2 — CID 57091313

IUPACN-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
SMILESNC[C@@H](NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)/t11-,12?/m1/s1
InChIKeyIRNCLRNQZBJYAK-JHJMLUEUSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds4

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

N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide (PubChem CID 57091313) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
PubChem CID57091313
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
SMILESNC[C@@H](NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)/t11-,12?/m1/s1
InChIKeyIRNCLRNQZBJYAK-JHJMLUEUSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide?
The IUPAC name of N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide (CID 57091313) is N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide is NC[C@@H](NC(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide?
The InChIKey is IRNCLRNQZBJYAK-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)/t11-,12?/m1/s1.
What are the key properties of N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide?
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 57091313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).