(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide

C11H22N2O2 — CID 78991060

IUPAC(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
SMILESCC1CCC(CO)(NC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C11H22N2O2/c1-8-3-5-11(7-14,6-4-8)13-10(15)9(2)12/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t8?,9-,11?/m1/s1
InChIKeyJEOFRXURZVZCBJ-INWMGODYSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds3

About (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide

(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide (PubChem CID 78991060) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
PubChem CID78991060
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
SMILESCC1CCC(CO)(NC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C11H22N2O2/c1-8-3-5-11(7-14,6-4-8)13-10(15)9(2)12/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t8?,9-,11?/m1/s1
InChIKeyJEOFRXURZVZCBJ-INWMGODYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 114898352
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpropanamide
CID 62726873
2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
CID 107472051
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanoic acid
CID 62552009
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
CID 62527498
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480
(2S)-2-amino-N-(1-ethylcyclopropyl)propanamide
CID 131186061
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide (CID 78991060) is (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide is CC1CCC(CO)(NC(=O)[C@@H](C)N)CC1.
What is the InChIKey of (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
The InChIKey is JEOFRXURZVZCBJ-INWMGODYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-3-5-11(7-14,6-4-8)13-10(15)9(2)12/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t8?,9-,11?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide is sourced from PubChem (CID 78991060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).