(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride

C10H21ClN2O2 — CID 131042164

IUPAC(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride
SMILESCOC1CCCC(NC(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-7(11)10(13)12-8-4-3-5-9(6-8)14-2;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H/t7-,8?,9?;/m1./s1
InChIKeyNFKMWSPWGWWWBX-CHHXHTNCSA-N
MW236.74 g/mol
LogP0.83
Rot. Bonds3

About (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride

(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride (PubChem CID 131042164) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride
PubChem CID131042164
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride
SMILESCOC1CCCC(NC(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-7(11)10(13)12-8-4-3-5-9(6-8)14-2;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H/t7-,8?,9?;/m1./s1
InChIKeyNFKMWSPWGWWWBX-CHHXHTNCSA-N
XLogP0.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide
CID 139373494
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate
CID 95298268
methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate
CID 99955390
2-(3-methoxycyclohexyl)propanoic acid
CID 79418099
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
N,N-diethyl-2-[(3-methoxycyclohexyl)amino]propanamide
CID 112703045
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride (CID 131042164) is (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride is COC1CCCC(NC(=O)[C@@H](C)N)C1.Cl.
What is the InChIKey of (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride?
The InChIKey is NFKMWSPWGWWWBX-CHHXHTNCSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-7(11)10(13)12-8-4-3-5-9(6-8)14-2;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H/t7-,8?,9?;/m1./s1.
What are the key properties of (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride?
(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 131042164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).