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

C11H21N3O2 — CID 96554525

IUPACN-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
SMILESCC(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)CN
InChIInChI=1S/C11H21N3O2/c1-8(15)14(2)10-6-4-3-5-9(10)13-11(16)7-12/h9-10H,3-7,12H2,1-2H3,(H,13,16)/t9-,10+/m1/s1
InChIKeyVTFJJYPXDLWBRZ-ZJUUUORDSA-N
MW227.31 g/mol
LogP-0.15
Rot. Bonds3

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

N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide (PubChem CID 96554525) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
PubChem CID96554525
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
SMILESCC(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)CN
InChIInChI=1S/C11H21N3O2/c1-8(15)14(2)10-6-4-3-5-9(10)13-11(16)7-12/h9-10H,3-7,12H2,1-2H3,(H,13,16)/t9-,10+/m1/s1
InChIKeyVTFJJYPXDLWBRZ-ZJUUUORDSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554534
2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 96554848
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-amino-3-methylbutanamide
CID 96554628
2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 96554681
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide
CID 96554380
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
N-methyl-N-[(2S)-2-(methylamino)cyclopentyl]acetamide
CID 121478943
tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
CID 66566246
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
N-[(1S,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]-2-chloroacetamide
CID 96554492

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide?
The IUPAC name of N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide (CID 96554525) is N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide.
What is the SMILES notation for N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide?
The canonical SMILES for N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide is CC(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)CN.
What is the InChIKey of N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide?
The InChIKey is VTFJJYPXDLWBRZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(15)14(2)10-6-4-3-5-9(10)13-11(16)7-12/h9-10H,3-7,12H2,1-2H3,(H,13,16)/t9-,10+/m1/s1.
What are the key properties of N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide?
N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide has a molecular weight of 227.31 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide is sourced from PubChem (CID 96554525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).