(2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide

C9H16N2O2 — CID 126987878

IUPAC(2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC(C#N)C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-6(12)8(13)11-7(5-10)9(2,3)4/h6-7,12H,1-4H3,(H,11,13)/t6-,7?/m0/s1
InChIKeyVBKCMMPRXAMPEW-PKPIPKONSA-N
MW184.24 g/mol
LogP0.42
Rot. Bonds2

About (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide

(2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide (PubChem CID 126987878) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide
PubChem CID126987878
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC(C#N)C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-6(12)8(13)11-7(5-10)9(2,3)4/h6-7,12H,1-4H3,(H,11,13)/t6-,7?/m0/s1
InChIKeyVBKCMMPRXAMPEW-PKPIPKONSA-N
XLogP0.42
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide
CID 130917609
(2S)-2-hydroxy-3,3-dimethyl-N-propan-2-ylbutanamide
CID 134237228
2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide
CID 134458590
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
CID 139881772
(2S)-2-hydroxy-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 164555971
(2R)-2-hydroxy-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 167134961
N-[(2R)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
CID 171786030
(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide
CID 172508360
(2R)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxypropanamide
CID 172508407
(2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 172508434
(2R)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 172508565
N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
CID 172508607

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide?
The IUPAC name of (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide (CID 126987878) is (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide is C[C@H](O)C(=O)NC(C#N)C(C)(C)C.
What is the InChIKey of (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide?
The InChIKey is VBKCMMPRXAMPEW-PKPIPKONSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(12)8(13)11-7(5-10)9(2,3)4/h6-7,12H,1-4H3,(H,11,13)/t6-,7?/m0/s1.
What are the key properties of (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide?
(2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide is sourced from PubChem (CID 126987878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).