4-amino-N-but-3-ynyloxane-4-carboxamide

C10H16N2O2 — CID 115294969

IUPAC4-amino-N-but-3-ynyloxane-4-carboxamide
SMILESC#CCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H16N2O2/c1-2-3-6-12-9(13)10(11)4-7-14-8-5-10/h1H,3-8,11H2,(H,12,13)
InChIKeyNHIFGKQRBCEGFQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.37
Rot. Bonds3

About 4-amino-N-but-3-ynyloxane-4-carboxamide

4-amino-N-but-3-ynyloxane-4-carboxamide (PubChem CID 115294969) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-N-but-3-ynyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-but-3-ynyloxane-4-carboxamide
PubChem CID115294969
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-amino-N-but-3-ynyloxane-4-carboxamide
SMILESC#CCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H16N2O2/c1-2-3-6-12-9(13)10(11)4-7-14-8-5-10/h1H,3-8,11H2,(H,12,13)
InChIKeyNHIFGKQRBCEGFQ-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide
CID 106427849
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
4-amino-N-[2-(ethylsulfamoyl)ethyl]oxane-4-carboxamide
CID 103845768
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-but-3-ynyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-but-3-ynyloxane-4-carboxamide (CID 115294969) is 4-amino-N-but-3-ynyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-but-3-ynyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-but-3-ynyloxane-4-carboxamide is C#CCCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-but-3-ynyloxane-4-carboxamide?
The InChIKey is NHIFGKQRBCEGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-6-12-9(13)10(11)4-7-14-8-5-10/h1H,3-8,11H2,(H,12,13).
What are the key properties of 4-amino-N-but-3-ynyloxane-4-carboxamide?
4-amino-N-but-3-ynyloxane-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-but-3-ynyloxane-4-carboxamide is sourced from PubChem (CID 115294969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).