1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C10H18N2O2 — CID 143504854

IUPAC1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](C=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H18N2O2/c1-8(7-13)12-9(14)10(11)5-3-2-4-6-10/h7-8H,2-6,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyPGTUGXAAZPBFLU-QMMMGPOBSA-N
MW198.27 g/mol
LogP0.35
Rot. Bonds3

About 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 143504854) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID143504854
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](C=O)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C10H18N2O2/c1-8(7-13)12-9(14)10(11)5-3-2-4-6-10/h7-8H,2-6,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyPGTUGXAAZPBFLU-QMMMGPOBSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 143504854) is 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is C[C@@H](C=O)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is PGTUGXAAZPBFLU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(7-13)12-9(14)10(11)5-3-2-4-6-10/h7-8H,2-6,11H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 143504854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).