(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide

C7H13NO2 — CID 170341446

IUPAC(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide
SMILESC=C[C@@H](O)C(=O)NC(C)C
InChIInChI=1S/C7H13NO2/c1-4-6(9)7(10)8-5(2)3/h4-6,9H,1H2,2-3H3,(H,8,10)/t6-/m1/s1
InChIKeyNMXBHFSRCAEIQJ-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds3

About (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide

(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide (PubChem CID 170341446) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide
PubChem CID170341446
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide
SMILESC=C[C@@H](O)C(=O)NC(C)C
InChIInChI=1S/C7H13NO2/c1-4-6(9)7(10)8-5(2)3/h4-6,9H,1H2,2-3H3,(H,8,10)/t6-/m1/s1
InChIKeyNMXBHFSRCAEIQJ-ZCFIWIBFSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
(2S)-N-but-3-en-2-yl-2-hydroxypropanamide
CID 131182785
sodium N-propan-2-ylprop-2-enamide
CID 19004870
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
2-methyl-4-oxo-N-propan-2-ylpentanamide
CID 88915731
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
CID 21366384
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide?
The IUPAC name of (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide (CID 170341446) is (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide.
What is the SMILES notation for (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide?
The canonical SMILES for (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide is C=C[C@@H](O)C(=O)NC(C)C.
What is the InChIKey of (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide?
The InChIKey is NMXBHFSRCAEIQJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(9)7(10)8-5(2)3/h4-6,9H,1H2,2-3H3,(H,8,10)/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide?
(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-propan-2-ylbut-3-enamide is sourced from PubChem (CID 170341446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).