3-amino-5,6-dihydroxy-2-methylhex-2-enamide

C7H14N2O3 — CID 175280437

IUPAC3-amino-5,6-dihydroxy-2-methylhex-2-enamide
SMILESCC(C(N)=O)=C(N)CC(O)CO
InChIInChI=1S/C7H14N2O3/c1-4(7(9)12)6(8)2-5(11)3-10/h5,10-11H,2-3,8H2,1H3,(H2,9,12)
InChIKeyDINVNJBDPXVZTF-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.55
Rot. Bonds4

About 3-amino-5,6-dihydroxy-2-methylhex-2-enamide

3-amino-5,6-dihydroxy-2-methylhex-2-enamide (PubChem CID 175280437) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-amino-5,6-dihydroxy-2-methylhex-2-enamide.

Molecular Properties

Compound Name3-amino-5,6-dihydroxy-2-methylhex-2-enamide
PubChem CID175280437
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-amino-5,6-dihydroxy-2-methylhex-2-enamide
SMILESCC(C(N)=O)=C(N)CC(O)CO
InChIInChI=1S/C7H14N2O3/c1-4(7(9)12)6(8)2-5(11)3-10/h5,10-11H,2-3,8H2,1H3,(H2,9,12)
InChIKeyDINVNJBDPXVZTF-UHFFFAOYSA-N
XLogP-1.55
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dihydroxy-2-methylhex-2-enamide?
The IUPAC name of 3-amino-5,6-dihydroxy-2-methylhex-2-enamide (CID 175280437) is 3-amino-5,6-dihydroxy-2-methylhex-2-enamide.
What is the SMILES notation for 3-amino-5,6-dihydroxy-2-methylhex-2-enamide?
The canonical SMILES for 3-amino-5,6-dihydroxy-2-methylhex-2-enamide is CC(C(N)=O)=C(N)CC(O)CO.
What is the InChIKey of 3-amino-5,6-dihydroxy-2-methylhex-2-enamide?
The InChIKey is DINVNJBDPXVZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(7(9)12)6(8)2-5(11)3-10/h5,10-11H,2-3,8H2,1H3,(H2,9,12).
What are the key properties of 3-amino-5,6-dihydroxy-2-methylhex-2-enamide?
3-amino-5,6-dihydroxy-2-methylhex-2-enamide has a molecular weight of 174.20 g/mol, XLogP of -1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-dihydroxy-2-methylhex-2-enamide is sourced from PubChem (CID 175280437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).