N-[(3R)-3-hydroxybutyl]prop-2-ynamide

C7H11NO2 — CID 130636793

IUPACN-[(3R)-3-hydroxybutyl]prop-2-ynamide
SMILESC#CC(=O)NCC[C@@H](C)O
InChIInChI=1S/C7H11NO2/c1-3-7(10)8-5-4-6(2)9/h1,6,9H,4-5H2,2H3,(H,8,10)/t6-/m1/s1
InChIKeyDENPHRLJMZGRSY-ZCFIWIBFSA-N
MW141.17 g/mol
LogP-0.49
Rot. Bonds3

About N-[(3R)-3-hydroxybutyl]prop-2-ynamide

N-[(3R)-3-hydroxybutyl]prop-2-ynamide (PubChem CID 130636793) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(3R)-3-hydroxybutyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxybutyl]prop-2-ynamide
PubChem CID130636793
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-[(3R)-3-hydroxybutyl]prop-2-ynamide
SMILESC#CC(=O)NCC[C@@H](C)O
InChIInChI=1S/C7H11NO2/c1-3-7(10)8-5-4-6(2)9/h1,6,9H,4-5H2,2H3,(H,8,10)/t6-/m1/s1
InChIKeyDENPHRLJMZGRSY-ZCFIWIBFSA-N
XLogP-0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.49
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

N-(2-acetamidoethyl)prop-2-ynamide
CID 130886003
4-(prop-2-ynylamino)butan-2-ol
CID 64911944
N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
CID 89235197
N-pent-3-ynylprop-2-ynamide
CID 104581196
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
methyl 3-(prop-2-ynoylamino)propanoate
CID 61294653
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide
CID 89152541
(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
CID 111470217
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxybutyl]prop-2-ynamide?
The IUPAC name of N-[(3R)-3-hydroxybutyl]prop-2-ynamide (CID 130636793) is N-[(3R)-3-hydroxybutyl]prop-2-ynamide.
What is the SMILES notation for N-[(3R)-3-hydroxybutyl]prop-2-ynamide?
The canonical SMILES for N-[(3R)-3-hydroxybutyl]prop-2-ynamide is C#CC(=O)NCC[C@@H](C)O.
What is the InChIKey of N-[(3R)-3-hydroxybutyl]prop-2-ynamide?
The InChIKey is DENPHRLJMZGRSY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-7(10)8-5-4-6(2)9/h1,6,9H,4-5H2,2H3,(H,8,10)/t6-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxybutyl]prop-2-ynamide?
N-[(3R)-3-hydroxybutyl]prop-2-ynamide has a molecular weight of 141.17 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxybutyl]prop-2-ynamide is sourced from PubChem (CID 130636793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).