1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide

C10H16N2O — CID 106230384

IUPAC1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide
SMILESC#CC(CC)NC(=O)C1(N)CCC1
InChIInChI=1S/C10H16N2O/c1-3-8(4-2)12-9(13)10(11)6-5-7-10/h1,8H,4-7,11H2,2H3,(H,12,13)
InChIKeyHEHYYRHYZMUVGN-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.40
Rot. Bonds3

About 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide

1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide (PubChem CID 106230384) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide
PubChem CID106230384
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide
SMILESC#CC(CC)NC(=O)C1(N)CCC1
InChIInChI=1S/C10H16N2O/c1-3-8(4-2)12-9(13)10(11)6-5-7-10/h1,8H,4-7,11H2,2H3,(H,12,13)
InChIKeyHEHYYRHYZMUVGN-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.40
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

1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide
CID 114417175
1-amino-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 93315413
1-amino-N-(3-methylpentan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119300951
1-(pent-1-yn-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106232227
2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
CID 106230414
1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
CID 81179948
2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 106231107
N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
CID 106230204
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
1-amino-N-(1-ethoxypropan-2-yl)cyclobutane-1-carboxamide
CID 81168256
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 61174176

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide (CID 106230384) is 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide is C#CC(CC)NC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide?
The InChIKey is HEHYYRHYZMUVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8(4-2)12-9(13)10(11)6-5-7-10/h1,8H,4-7,11H2,2H3,(H,12,13).
What are the key properties of 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide?
1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 106230384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).