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

C12H23N3O2 — CID 96554576

IUPAC(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
SMILESCC(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N
InChIInChI=1S/C12H23N3O2/c1-8(13)12(17)14-10-6-4-5-7-11(10)15(3)9(2)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,17)/t8-,10-,11-/m0/s1
InChIKeyOVAZKZOJRVKSQT-LSJOCFKGSA-N
MW241.33 g/mol
LogP0.24
Rot. Bonds3

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

(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide (PubChem CID 96554576) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
PubChem CID96554576
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
SMILESCC(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N
InChIInChI=1S/C12H23N3O2/c1-8(13)12(17)14-10-6-4-5-7-11(10)15(3)9(2)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,17)/t8-,10-,11-/m0/s1
InChIKeyOVAZKZOJRVKSQT-LSJOCFKGSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide?
The IUPAC name of (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide (CID 96554576) is (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide.
What is the SMILES notation for (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide?
The canonical SMILES for (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide is CC(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide?
The InChIKey is OVAZKZOJRVKSQT-LSJOCFKGSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(13)12(17)14-10-6-4-5-7-11(10)15(3)9(2)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,17)/t8-,10-,11-/m0/s1.
What are the key properties of (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide?
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide has a molecular weight of 241.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide is sourced from PubChem (CID 96554576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).