2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide

C10H16N2O2 — CID 164659161

IUPAC2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NC1COCC1C
InChIInChI=1S/C10H16N2O2/c1-3-4-8(11)10(13)12-9-6-14-5-7(9)2/h1,7-9H,4-6,11H2,2H3,(H,12,13)
InChIKeyMDVYYQYYDNCGDD-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.51
Rot. Bonds3

About 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide

2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide (PubChem CID 164659161) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide
PubChem CID164659161
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NC1COCC1C
InChIInChI=1S/C10H16N2O2/c1-3-4-8(11)10(13)12-9-6-14-5-7(9)2/h1,7-9H,4-6,11H2,2H3,(H,12,13)
InChIKeyMDVYYQYYDNCGDD-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
2-amino-2-methyl-N-(4-methyloxolan-3-yl)butanamide
CID 164659168
(2S)-2-amino-N-propylpent-4-ynamide
CID 82668022
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
CID 59921664
prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate
CID 130751512
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
CID 66238523

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide?
The IUPAC name of 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide (CID 164659161) is 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide is C#CCC(N)C(=O)NC1COCC1C.
What is the InChIKey of 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide?
The InChIKey is MDVYYQYYDNCGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-8(11)10(13)12-9-6-14-5-7(9)2/h1,7-9H,4-6,11H2,2H3,(H,12,13).
What are the key properties of 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide?
2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide has a molecular weight of 196.25 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyloxolan-3-yl)pent-4-ynamide is sourced from PubChem (CID 164659161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).