(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride

C12H25ClN2O2 — CID 119782236

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCO1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-11(2,3)9(13)10(15)14-8-12(4)6-5-7-16-12;/h9H,5-8,13H2,1-4H3,(H,14,15);1H/t9-,12?;/m1./s1
InChIKeyVSRBUYNQOAGCSS-SWHRJYHISA-N
MW264.80 g/mol
LogP1.47
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride (PubChem CID 119782236) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
PubChem CID119782236
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCO1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-11(2,3)9(13)10(15)14-8-12(4)6-5-7-16-12;/h9H,5-8,13H2,1-4H3,(H,14,15);1H/t9-,12?;/m1./s1
InChIKeyVSRBUYNQOAGCSS-SWHRJYHISA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
2-amino-N-[(2-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668420
4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119322777
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936
(2S)-2-amino-3,3-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide;dihydrochloride
CID 119896471
2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
CID 116678448
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride (CID 119782236) is (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride is CC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCO1.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is VSRBUYNQOAGCSS-SWHRJYHISA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-11(2,3)9(13)10(15)14-8-12(4)6-5-7-16-12;/h9H,5-8,13H2,1-4H3,(H,14,15);1H/t9-,12?;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119782236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).