2-(ethynylamino)butanediamide

C6H9N3O2 — CID 88775772

IUPAC2-(ethynylamino)butanediamide
SMILESC#CNC(CC(N)=O)C(N)=O
InChIInChI=1S/C6H9N3O2/c1-2-9-4(6(8)11)3-5(7)10/h1,4,9H,3H2,(H2,7,10)(H2,8,11)
InChIKeyYOJBUSZKNIKKAP-UHFFFAOYSA-N
MW155.16 g/mol
LogP-2.10
Rot. Bonds4

About 2-(ethynylamino)butanediamide

2-(ethynylamino)butanediamide (PubChem CID 88775772) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(ethynylamino)butanediamide.

Molecular Properties

Compound Name2-(ethynylamino)butanediamide
PubChem CID88775772
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(ethynylamino)butanediamide
SMILESC#CNC(CC(N)=O)C(N)=O
InChIInChI=1S/C6H9N3O2/c1-2-9-4(6(8)11)3-5(7)10/h1,4,9H,3H2,(H2,7,10)(H2,8,11)
InChIKeyYOJBUSZKNIKKAP-UHFFFAOYSA-N
XLogP-2.10
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylamino)butanediamide
CID 66427979
(3R)-3-acetamido-4-oxopentanamide
CID 58664367
2-(1,4-diaminobutan-2-ylamino)butanediamide
CID 130301075
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344
(2S)-4-amino-2-(methylamino)-4-oxobutanethioic S-acid
CID 90274310
2-(4-methylanilino)butanediamide
CID 66427556
(2R)-4-amino-4-oxo-2-(pent-4-yn-2-ylcarbamoylamino)butanoic acid
CID 107829038
(2S)-4-amino-4-oxo-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232197
2-[[(1R)-3-amino-1-carboxy-3-oxopropyl]amino]butanedioic acid
CID 132518593
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
(2S)-4-amino-2-(carbamoylamino)-4-oxobutanoate
CID 7319306
(2S)-2-(decanoylamino)butanediamide
CID 54547398

Frequently Asked Questions

What is the IUPAC name of 2-(ethynylamino)butanediamide?
The IUPAC name of 2-(ethynylamino)butanediamide (CID 88775772) is 2-(ethynylamino)butanediamide.
What is the SMILES notation for 2-(ethynylamino)butanediamide?
The canonical SMILES for 2-(ethynylamino)butanediamide is C#CNC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-(ethynylamino)butanediamide?
The InChIKey is YOJBUSZKNIKKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-9-4(6(8)11)3-5(7)10/h1,4,9H,3H2,(H2,7,10)(H2,8,11).
What are the key properties of 2-(ethynylamino)butanediamide?
2-(ethynylamino)butanediamide has a molecular weight of 155.16 g/mol, XLogP of -2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethynylamino)butanediamide is sourced from PubChem (CID 88775772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).