(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide

C8H16N2O2 — CID 146666897

IUPAC(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide
SMILESNC(=O)[C@@H](O)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C8H16N2O2/c9-6-3-1-2-5(4-6)7(11)8(10)12/h5-7,11H,1-4,9H2,(H2,10,12)/t5-,6-,7+/m1/s1
InChIKeyMWEXWGLSHDKMIS-QYNIQEEDSA-N
MW172.23 g/mol
LogP-0.65
Rot. Bonds2

About (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide

(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide (PubChem CID 146666897) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide
PubChem CID146666897
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide
SMILESNC(=O)[C@@H](O)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C8H16N2O2/c9-6-3-1-2-5(4-6)7(11)8(10)12/h5-7,11H,1-4,9H2,(H2,10,12)/t5-,6-,7+/m1/s1
InChIKeyMWEXWGLSHDKMIS-QYNIQEEDSA-N
XLogP-0.65
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-2-hydroxyacetamide
CID 146666883
2-cyclobutyl-2-hydroxyacetamide
CID 69459333
(1S)-1-[(1R,3S)-3-aminocyclohexyl]-1-hydroxypropan-2-one
CID 167029104
2-(3-hydrazinylcyclohexyl)-2-hydroxyacetamide
CID 146666882
(2R)-2-(4-aminocyclohexyl)-2-hydroxyacetamide
CID 146667473
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
CID 106592610
1-(3-aminocyclohexyl)propane-1-sulfonic acid
CID 22073446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide?
The IUPAC name of (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide (CID 146666897) is (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide.
What is the SMILES notation for (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide?
The canonical SMILES for (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide is NC(=O)[C@@H](O)[C@@H]1CCC[C@@H](N)C1.
What is the InChIKey of (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide?
The InChIKey is MWEXWGLSHDKMIS-QYNIQEEDSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-6-3-1-2-5(4-6)7(11)8(10)12/h5-7,11H,1-4,9H2,(H2,10,12)/t5-,6-,7+/m1/s1.
What are the key properties of (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide?
(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide has a molecular weight of 172.23 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide is sourced from PubChem (CID 146666897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).