1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide

C13H18N2O2 — CID 114010313

IUPAC1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)N[C@@H](CO)c2ccccc2)CCC1
InChIInChI=1S/C13H18N2O2/c14-13(7-4-8-13)12(17)15-11(9-16)10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9,14H2,(H,15,17)/t11-/m0/s1
InChIKeyJDICEXYKWILCNM-NSHDSACASA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds4

About 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide

1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide (PubChem CID 114010313) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
PubChem CID114010313
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)N[C@@H](CO)c2ccccc2)CCC1
InChIInChI=1S/C13H18N2O2/c14-13(7-4-8-13)12(17)15-11(9-16)10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9,14H2,(H,15,17)/t11-/m0/s1
InChIKeyJDICEXYKWILCNM-NSHDSACASA-N
XLogP0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-amino-N-benzhydrylcyclopentane-1-carboxamide
CID 97030389
1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide
CID 143504731
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
N-[(1R)-2-hydroxy-1-phenylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50984628
1-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclopentane-1-carboxamide
CID 60852989
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 110001954
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862841
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide (CID 114010313) is 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide is NC1(C(=O)N[C@@H](CO)c2ccccc2)CCC1.
What is the InChIKey of 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide?
The InChIKey is JDICEXYKWILCNM-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(7-4-8-13)12(17)15-11(9-16)10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9,14H2,(H,15,17)/t11-/m0/s1.
What are the key properties of 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide?
1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114010313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).