(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride

C12H25ClN2O2 — CID 119708785

IUPAC(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-12(2,3)10(13)11(15)14(4)8-9-6-5-7-16-9;/h9-10H,5-8,13H2,1-4H3;1H/t9?,10-;/m1./s1
InChIKeyKRGSJKZGQDZUCN-FJYJDOHQSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds3

About (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride

(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119708785) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
PubChem CID119708785
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-12(2,3)10(13)11(15)14(4)8-9-6-5-7-16-9;/h9-10H,5-8,13H2,1-4H3;1H/t9?,10-;/m1./s1
InChIKeyKRGSJKZGQDZUCN-FJYJDOHQSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 107569428
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide
CID 95347844
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
tert-butyl N-[1-[methyl(oxolan-2-ylmethyl)amino]-1-oxopropan-2-yl]carbamate
CID 61436416
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
(2S)-2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide;dihydrochloride
CID 119855588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride (CID 119708785) is (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride is CN(CC1CCCO1)C(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is KRGSJKZGQDZUCN-FJYJDOHQSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-12(2,3)10(13)11(15)14(4)8-9-6-5-7-16-9;/h9-10H,5-8,13H2,1-4H3;1H/t9?,10-;/m1./s1.
What are the key properties of (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride?
(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119708785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).