(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide

C13H26N2O2 — CID 113357272

IUPAC(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC1(CCOC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-5-11(14)12(16)15-10-13(6-7-13)8-9-17-2/h11H,3-10,14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyNWBBHNRHFTZBBJ-NSHDSACASA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds9

About (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide

(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide (PubChem CID 113357272) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
PubChem CID113357272
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC1(CCOC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-4-5-11(14)12(16)15-10-13(6-7-13)8-9-17-2/h11H,3-10,14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyNWBBHNRHFTZBBJ-NSHDSACASA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547
2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentanamide
CID 103950711
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119339904
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylpentanamide;hydrochloride
CID 119812150
2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
CID 103966706
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820408
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
2-amino-5-methoxy-N-propylpentanamide
CID 81082005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide (CID 113357272) is (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide is CCCC[C@H](N)C(=O)NCC1(CCOC)CC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide?
The InChIKey is NWBBHNRHFTZBBJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-5-11(14)12(16)15-10-13(6-7-13)8-9-17-2/h11H,3-10,14H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide?
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide is sourced from PubChem (CID 113357272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).