N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

C9H18N2O4 — CID 24443

IUPACN-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCCC(N)=O
InChIInChI=1S/C9H18N2O4/c1-9(2,5-12)7(14)8(15)11-4-3-6(10)13/h7,12,14H,3-5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyAMMYIDAXRNSZSJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.64
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 24443) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID24443
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCCC(N)=O
InChIInChI=1S/C9H18N2O4/c1-9(2,5-12)7(14)8(15)11-4-3-6(10)13/h7,12,14H,3-5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyAMMYIDAXRNSZSJ-UHFFFAOYSA-N
XLogP-1.64
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide (CID 24443) is N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)C(O)C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is AMMYIDAXRNSZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,5-12)7(14)8(15)11-4-3-6(10)13/h7,12,14H,3-5H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 218.25 g/mol, XLogP of -1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 24443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).