acetylene;2-amino-N,3-dihydroxybutanamide

C8H14N2O3 — CID 174483639

IUPACacetylene;2-amino-N,3-dihydroxybutanamide
SMILESC#C.C#C.CC(O)C(N)C(=O)NO
InChIInChI=1S/C4H10N2O3.2C2H2/c1-2(7)3(5)4(8)6-9;2*1-2/h2-3,7,9H,5H2,1H3,(H,6,8);2*1-2H
InChIKeyQZDBDUDMWZLFIK-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.30
Rot. Bonds2

About acetylene;2-amino-N,3-dihydroxybutanamide

acetylene;2-amino-N,3-dihydroxybutanamide (PubChem CID 174483639) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is acetylene;2-amino-N,3-dihydroxybutanamide.

Molecular Properties

Compound Nameacetylene;2-amino-N,3-dihydroxybutanamide
PubChem CID174483639
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameacetylene;2-amino-N,3-dihydroxybutanamide
SMILESC#C.C#C.CC(O)C(N)C(=O)NO
InChIInChI=1S/C4H10N2O3.2C2H2/c1-2(7)3(5)4(8)6-9;2*1-2/h2-3,7,9H,5H2,1H3,(H,6,8);2*1-2H
InChIKeyQZDBDUDMWZLFIK-UHFFFAOYSA-N
XLogP-1.30
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 11352962
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
4-amino-5-hydroxy-2-methylhexan-3-one
CID 58593164
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide
CID 153393689

Frequently Asked Questions

What is the IUPAC name of acetylene;2-amino-N,3-dihydroxybutanamide?
The IUPAC name of acetylene;2-amino-N,3-dihydroxybutanamide (CID 174483639) is acetylene;2-amino-N,3-dihydroxybutanamide.
What is the SMILES notation for acetylene;2-amino-N,3-dihydroxybutanamide?
The canonical SMILES for acetylene;2-amino-N,3-dihydroxybutanamide is C#C.C#C.CC(O)C(N)C(=O)NO.
What is the InChIKey of acetylene;2-amino-N,3-dihydroxybutanamide?
The InChIKey is QZDBDUDMWZLFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3.2C2H2/c1-2(7)3(5)4(8)6-9;2*1-2/h2-3,7,9H,5H2,1H3,(H,6,8);2*1-2H.
What are the key properties of acetylene;2-amino-N,3-dihydroxybutanamide?
acetylene;2-amino-N,3-dihydroxybutanamide has a molecular weight of 186.21 g/mol, XLogP of -1.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-amino-N,3-dihydroxybutanamide is sourced from PubChem (CID 174483639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).