(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide

C10H22N2O2 — CID 79377276

IUPAC(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H22N2O2/c1-7(2)8(11)9(13)12(5)6-10(3,4)14/h7-8,14H,6,11H2,1-5H3/t8-/m0/s1
InChIKeyXAWVNRCSIDUUSB-QMMMGPOBSA-N
MW202.30 g/mol
LogP0.20
Rot. Bonds4

About (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide

(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide (PubChem CID 79377276) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
PubChem CID79377276
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H22N2O2/c1-7(2)8(11)9(13)12(5)6-10(3,4)14/h7-8,14H,6,11H2,1-5H3/t8-/m0/s1
InChIKeyXAWVNRCSIDUUSB-QMMMGPOBSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270119
2-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylbutanamide
CID 63693134
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79378078
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663081
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide (CID 79377276) is (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide is CC(C)[C@H](N)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide?
The InChIKey is XAWVNRCSIDUUSB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)8(11)9(13)12(5)6-10(3,4)14/h7-8,14H,6,11H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide?
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 79377276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).