(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride

C14H29ClN2O2 — CID 119820408

IUPAC(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
SMILESCOCCC1(CNC(=O)[C@@H](N)CC(C)C)CCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-11(2)9-12(15)13(17)16-10-14(5-4-6-14)7-8-18-3;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H/t12-;/m0./s1
InChIKeyKEYUAUITOPYBTJ-YDALLXLXSA-N
MW292.85 g/mol
LogP2.10
Rot. Bonds8

About (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride (PubChem CID 119820408) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
PubChem CID119820408
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
SMILESCOCCC1(CNC(=O)[C@@H](N)CC(C)C)CCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-11(2)9-12(15)13(17)16-10-14(5-4-6-14)7-8-18-3;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H/t12-;/m0./s1
InChIKeyKEYUAUITOPYBTJ-YDALLXLXSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylpentanamide;hydrochloride
CID 119812150
2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentanamide
CID 103950711
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547
2-amino-N-[(1-ethylcyclopentyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992658
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide
CID 119820393
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119339904
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
CID 113357272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride (CID 119820408) is (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride is COCCC1(CNC(=O)[C@@H](N)CC(C)C)CCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride?
The InChIKey is KEYUAUITOPYBTJ-YDALLXLXSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-11(2)9-12(15)13(17)16-10-14(5-4-6-14)7-8-18-3;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.10, 8 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)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119820408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).