2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C8H14N2O3 — CID 19350083

IUPAC2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC#N
InChIInChI=1S/C8H14N2O3/c1-2-8(5-11,6-12)10-7(13)3-4-9/h11-12H,2-3,5-6H2,1H3,(H,10,13)
InChIKeyWLZNBJYQQHZVPU-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.85
Rot. Bonds5

About 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 19350083) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID19350083
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC#N
InChIInChI=1S/C8H14N2O3/c1-2-8(5-11,6-12)10-7(13)3-4-9/h11-12H,2-3,5-6H2,1H3,(H,10,13)
InChIKeyWLZNBJYQQHZVPU-UHFFFAOYSA-N
XLogP-0.85
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
2-(ethylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521058
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104630084
2-cyano-N-(trifluoromethyl)acetamide
CID 174782977
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 107864751
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
ethyl 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-4-oxobutanoate
CID 104630271
2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 19350083) is 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCC(CO)(CO)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is WLZNBJYQQHZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-8(5-11,6-12)10-7(13)3-4-9/h11-12H,2-3,5-6H2,1H3,(H,10,13).
What are the key properties of 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 186.21 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 19350083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).