N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide

C12H23N3O2 — CID 96554534

IUPACN-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide
SMILESCCN(C(C)=O)[C@H]1CCCC[C@@H]1NC(=O)CN
InChIInChI=1S/C12H23N3O2/c1-3-15(9(2)16)11-7-5-4-6-10(11)14-12(17)8-13/h10-11H,3-8,13H2,1-2H3,(H,14,17)/t10-,11-/m0/s1
InChIKeyCGDQNLXSRHEOBQ-QWRGUYRKSA-N
MW241.33 g/mol
LogP0.24
Rot. Bonds4

About N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide

N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide (PubChem CID 96554534) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide
PubChem CID96554534
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide
SMILESCCN(C(C)=O)[C@H]1CCCC[C@@H]1NC(=O)CN
InChIInChI=1S/C12H23N3O2/c1-3-15(9(2)16)11-7-5-4-6-10(11)14-12(17)8-13/h10-11H,3-8,13H2,1-2H3,(H,14,17)/t10-,11-/m0/s1
InChIKeyCGDQNLXSRHEOBQ-QWRGUYRKSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide?
The IUPAC name of N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide (CID 96554534) is N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide.
What is the SMILES notation for N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide?
The canonical SMILES for N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide is CCN(C(C)=O)[C@H]1CCCC[C@@H]1NC(=O)CN.
What is the InChIKey of N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide?
The InChIKey is CGDQNLXSRHEOBQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-15(9(2)16)11-7-5-4-6-10(11)14-12(17)8-13/h10-11H,3-8,13H2,1-2H3,(H,14,17)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide?
N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide has a molecular weight of 241.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide is sourced from PubChem (CID 96554534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).