N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide

C8H13NO2 — CID 130660257

IUPACN-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide
SMILESCC#CC(=O)N[C@@H](C)CCO
InChIInChI=1S/C8H13NO2/c1-3-4-8(11)9-7(2)5-6-10/h7,10H,5-6H2,1-2H3,(H,9,11)/t7-/m0/s1
InChIKeyBXFOGFYVYAPJRV-ZETCQYMHSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds3

About N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide

N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide (PubChem CID 130660257) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide
PubChem CID130660257
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide
SMILESCC#CC(=O)N[C@@H](C)CCO
InChIInChI=1S/C8H13NO2/c1-3-4-8(11)9-7(2)5-6-10/h7,10H,5-6H2,1-2H3,(H,9,11)/t7-/m0/s1
InChIKeyBXFOGFYVYAPJRV-ZETCQYMHSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 2781177
3-hydroxy-N-(propan-2-yl)propanamide
CID 245971
N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12497496
N-(4-hydroxybutan-2-yl)formamide
CID 55287958
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022
N-(1-hydroxybutan-2-yl)acetamide
CID 249903
N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide
CID 101486755
2,2-difluoro-N-(4-hydroxybutan-2-yl)acetamide
CID 103513979
2,2,2-trifluoro-N-(4-hydroxybutan-2-yl)acetamide
CID 115283483
2,2-difluoro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 131222905
N-[(2S)-1-Hydroxybutan-2-yl]acetamide
CID 11105395
N-(1-hydroxybutan-2-yl)propanamide
CID 12497725

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide?
The IUPAC name of N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide (CID 130660257) is N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide.
What is the SMILES notation for N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide?
The canonical SMILES for N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide is CC#CC(=O)N[C@@H](C)CCO.
What is the InChIKey of N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide?
The InChIKey is BXFOGFYVYAPJRV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-8(11)9-7(2)5-6-10/h7,10H,5-6H2,1-2H3,(H,9,11)/t7-/m0/s1.
What are the key properties of N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide?
N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide has a molecular weight of 155.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide is sourced from PubChem (CID 130660257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).