1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide

C13H18N2O — CID 81169221

IUPAC1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-10(11-6-3-2-4-7-11)15-12(16)13(14)8-5-9-13/h2-4,6-7,10H,5,8-9,14H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyXQFKSPWQJRHPDD-JTQLQIEISA-N
MW218.30 g/mol
LogP1.75
Rot. Bonds3

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

1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide (PubChem CID 81169221) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
PubChem CID81169221
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-10(11-6-3-2-4-7-11)15-12(16)13(14)8-5-9-13/h2-4,6-7,10H,5,8-9,14H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyXQFKSPWQJRHPDD-JTQLQIEISA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide (CID 81169221) is 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide is C[C@H](NC(=O)C1(N)CCC1)c1ccccc1.
What is the InChIKey of 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide?
The InChIKey is XQFKSPWQJRHPDD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(11-6-3-2-4-7-11)15-12(16)13(14)8-5-9-13/h2-4,6-7,10H,5,8-9,14H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide?
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81169221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).