(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide

C11H21NO2 — CID 172508642

IUPAC(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
SMILESC[C@H](NC(=O)[C@@H](O)C1CC1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7(11(2,3)4)12-10(14)9(13)8-5-6-8/h7-9,13H,5-6H2,1-4H3,(H,12,14)/t7-,9-/m0/s1
InChIKeyGBRZXODFVOVNJU-CBAPKCEASA-N
MW199.29 g/mol
LogP1.31
Rot. Bonds3

About (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide

(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide (PubChem CID 172508642) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
PubChem CID172508642
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
SMILESC[C@H](NC(=O)[C@@H](O)C1CC1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7(11(2,3)4)12-10(14)9(13)8-5-6-8/h7-9,13H,5-6H2,1-4H3,(H,12,14)/t7-,9-/m0/s1
InChIKeyGBRZXODFVOVNJU-CBAPKCEASA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874
5-(3,3-dimethylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688941
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
methyl (3S)-4-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-methyl-4-oxobutanoate
CID 97019409
3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 104828391
(2S)-2-cyclobutyl-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-hydroxyacetamide
CID 134235288
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
2-(4-aminocyclohexyl)-N-(3,3-dimethylbutan-2-yl)acetamide
CID 104830066
3,3-dimethylbutan-2-ylcyclopropane
CID 13275215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide (CID 172508642) is (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide is C[C@H](NC(=O)[C@@H](O)C1CC1)C(C)(C)C.
What is the InChIKey of (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide?
The InChIKey is GBRZXODFVOVNJU-CBAPKCEASA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(11(2,3)4)12-10(14)9(13)8-5-6-8/h7-9,13H,5-6H2,1-4H3,(H,12,14)/t7-,9-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide?
(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide has a molecular weight of 199.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 172508642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).