N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide

C13H17NO2 — CID 103945021

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1CCC1
InChIInChI=1S/C13H17NO2/c15-9-12(10-5-2-1-3-6-10)14-13(16)11-7-4-8-11/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)/t12-/m1/s1
InChIKeyBAOPBABIXWURIA-GFCCVEGCSA-N
MW219.28 g/mol
LogP1.64
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide (PubChem CID 103945021) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
PubChem CID103945021
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1CCC1
InChIInChI=1S/C13H17NO2/c15-9-12(10-5-2-1-3-6-10)14-13(16)11-7-4-8-11/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)/t12-/m1/s1
InChIKeyBAOPBABIXWURIA-GFCCVEGCSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide (CID 103945021) is N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide is O=C(N[C@H](CO)c1ccccc1)C1CCC1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide?
The InChIKey is BAOPBABIXWURIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-12(10-5-2-1-3-6-10)14-13(16)11-7-4-8-11/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide is sourced from PubChem (CID 103945021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).