3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride

C10H21ClN2O5 — CID 159932941

IUPAC3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride
SMILESCC(C#N)COCO.CC(COCO)C(N)=O.Cl
InChIInChI=1S/C5H11NO3.C5H9NO2.ClH/c1-4(5(6)8)2-9-3-7;1-5(2-6)3-8-4-7;/h4,7H,2-3H2,1H3,(H2,6,8);5,7H,3-4H2,1H3;1H
InChIKeyPOJDPJNUNZJCPD-UHFFFAOYSA-N
MW284.74 g/mol
LogP-0.39
Rot. Bonds7

About 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride

3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride (PubChem CID 159932941) has the molecular formula C10H21ClN2O5 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride
PubChem CID159932941
Molecular FormulaC10H21ClN2O5
Molecular Weight284.74 g/mol
Exact Mass284.11
IUPAC Name3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride
SMILESCC(C#N)COCO.CC(COCO)C(N)=O.Cl
InChIInChI=1S/C5H11NO3.C5H9NO2.ClH/c1-4(5(6)8)2-9-3-7;1-5(2-6)3-8-4-7;/h4,7H,2-3H2,1H3,(H2,6,8);5,7H,3-4H2,1H3;1H
InChIKeyPOJDPJNUNZJCPD-UHFFFAOYSA-N
XLogP-0.39
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyanopropyl acetate
CID 86172500
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
2-cyanopropyl propanoate
CID 126994397
[(2S)-3-amino-2-methyl-3-oxopropyl] acetate
CID 11205829
2-cyanopropyl pentanoate
CID 86135005
3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
CID 64574200
5-cyano-2-ethylhexanamide
CID 88878026
3-cyanobutyl 2-methylbutanoate
CID 58676069
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
3-(3-cyanophenoxy)-2-methylpropanamide
CID 43312194
2-methylpropyl 2-cyanopropanoate
CID 53424522
2,4-dicyano-3-ethylpentanediamide
CID 10013275

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride?
The IUPAC name of 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride (CID 159932941) is 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride.
What is the SMILES notation for 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride?
The canonical SMILES for 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride is CC(C#N)COCO.CC(COCO)C(N)=O.Cl.
What is the InChIKey of 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride?
The InChIKey is POJDPJNUNZJCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C5H9NO2.ClH/c1-4(5(6)8)2-9-3-7;1-5(2-6)3-8-4-7;/h4,7H,2-3H2,1H3,(H2,6,8);5,7H,3-4H2,1H3;1H.
What are the key properties of 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride?
3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride has a molecular weight of 284.74 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethoxy)-2-methylpropanamide;3-(hydroxymethoxy)-2-methylpropanenitrile;hydrochloride is sourced from PubChem (CID 159932941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).