N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide

C6H11NO3 — CID 87061144

IUPACN-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide
SMILESC=C(O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C6H11NO3/c1-4(9)6(3-8)7-5(2)10/h6,8-9H,1,3H2,2H3,(H,7,10)/t6-/m1/s1
InChIKeyVZLYCIXXGJYAAT-ZCFIWIBFSA-N
MW145.16 g/mol
LogP-0.44
Rot. Bonds3

About N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide

N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide (PubChem CID 87061144) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide
PubChem CID87061144
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide
SMILESC=C(O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C6H11NO3/c1-4(9)6(3-8)7-5(2)10/h6,8-9H,1,3H2,2H3,(H,7,10)/t6-/m1/s1
InChIKeyVZLYCIXXGJYAAT-ZCFIWIBFSA-N
XLogP-0.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
propan-2-yl 2-acetamido-3-hydroxypropanoate
CID 75094884
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
2-acetamido-3-hydroxypropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 155273306
(2S)-2-(2-acetamidopropanoylamino)-3-hydroxypropanoic acid
CID 61153507
2-acetamido-3-(2-methylprop-2-enylamino)propanoic acid
CID 114616873
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
(2R)-2-acetamido-3-(2-methylprop-2-enoylsulfanyl)propanoic acid
CID 139441407

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide?
The IUPAC name of N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide (CID 87061144) is N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide is C=C(O)[C@@H](CO)NC(C)=O.
What is the InChIKey of N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide?
The InChIKey is VZLYCIXXGJYAAT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(9)6(3-8)7-5(2)10/h6,8-9H,1,3H2,2H3,(H,7,10)/t6-/m1/s1.
What are the key properties of N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide?
N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide has a molecular weight of 145.16 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide is sourced from PubChem (CID 87061144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).