2,3-dihydroxy-2-prop-2-enylbutanediamide

C7H12N2O4 — CID 140977246

IUPAC2,3-dihydroxy-2-prop-2-enylbutanediamide
SMILESC=CCC(O)(C(N)=O)C(O)C(N)=O
InChIInChI=1S/C7H12N2O4/c1-2-3-7(13,6(9)12)4(10)5(8)11/h2,4,10,13H,1,3H2,(H2,8,11)(H2,9,12)
InChIKeyRDUGICOZNYRVNX-UHFFFAOYSA-N
MW188.18 g/mol
LogP-2.37
Rot. Bonds5

About 2,3-dihydroxy-2-prop-2-enylbutanediamide

2,3-dihydroxy-2-prop-2-enylbutanediamide (PubChem CID 140977246) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2,3-dihydroxy-2-prop-2-enylbutanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-2-prop-2-enylbutanediamide
PubChem CID140977246
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2,3-dihydroxy-2-prop-2-enylbutanediamide
SMILESC=CCC(O)(C(N)=O)C(O)C(N)=O
InChIInChI=1S/C7H12N2O4/c1-2-3-7(13,6(9)12)4(10)5(8)11/h2,4,10,13H,1,3H2,(H2,8,11)(H2,9,12)
InChIKeyRDUGICOZNYRVNX-UHFFFAOYSA-N
XLogP-2.37
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide
CID 156904179
methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]pent-4-enoate
CID 101412857
(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
CID 87585546
4-aminohepta-1,6-dien-4-ol
CID 87970022
2,2-dimethylpent-4-enamide;methoxyethene
CID 174849158
N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide
CID 87328518
2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 174991342
2-formamido-2-methylpent-4-enamide
CID 86010782
2,5-dihydroxy-5-methyloct-7-en-3-one
CID 87378107
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
CID 11401049
1-bromo-3-hydroxy-3-prop-2-enylhex-5-en-2-one
CID 23007858

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2-prop-2-enylbutanediamide?
The IUPAC name of 2,3-dihydroxy-2-prop-2-enylbutanediamide (CID 140977246) is 2,3-dihydroxy-2-prop-2-enylbutanediamide.
What is the SMILES notation for 2,3-dihydroxy-2-prop-2-enylbutanediamide?
The canonical SMILES for 2,3-dihydroxy-2-prop-2-enylbutanediamide is C=CCC(O)(C(N)=O)C(O)C(N)=O.
What is the InChIKey of 2,3-dihydroxy-2-prop-2-enylbutanediamide?
The InChIKey is RDUGICOZNYRVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-2-3-7(13,6(9)12)4(10)5(8)11/h2,4,10,13H,1,3H2,(H2,8,11)(H2,9,12).
What are the key properties of 2,3-dihydroxy-2-prop-2-enylbutanediamide?
2,3-dihydroxy-2-prop-2-enylbutanediamide has a molecular weight of 188.18 g/mol, XLogP of -2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2-prop-2-enylbutanediamide is sourced from PubChem (CID 140977246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).