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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Related Compounds

N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554525
2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 96554848
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 96555299
tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
CID 66566246
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230
2-amino-N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 124526892
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
N-[(1S,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]-2-chloroacetamide
CID 96554492
tert-butyl N-[(1S,2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-ethylcarbamate
CID 96553762
2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
CID 114178743
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121

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).