3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide

C7H13NO3 — CID 156779688

IUPAC3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESCC(=CO)C(=O)NCC(C)O
InChIInChI=1S/C7H13NO3/c1-5(4-9)7(11)8-3-6(2)10/h4,6,9-10H,3H2,1-2H3,(H,8,11)
InChIKeyRQVQDXNBTSFSOZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.05
Rot. Bonds3

About 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide

3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 156779688) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID156779688
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESCC(=CO)C(=O)NCC(C)O
InChIInChI=1S/C7H13NO3/c1-5(4-9)7(11)8-3-6(2)10/h4,6,9-10H,3H2,1-2H3,(H,8,11)
InChIKeyRQVQDXNBTSFSOZ-UHFFFAOYSA-N
XLogP-0.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 109468488
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
methyl (E)-3-[[(2S)-2-hydroxypropyl]amino]but-2-enoate
CID 13220319
5-(2-hydroxypropylamino)-2,2-dimethylhex-4-en-3-one
CID 72589795
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
4-(2-hydroxypropylamino)-4-oxobut-2-enoic acid
CID 71359161
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide (CID 156779688) is 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide is CC(=CO)C(=O)NCC(C)O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is RQVQDXNBTSFSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(4-9)7(11)8-3-6(2)10/h4,6,9-10H,3H2,1-2H3,(H,8,11).
What are the key properties of 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 159.19 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 156779688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).