8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid

C15H31N3O3 — CID 163858247

IUPAC8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid
SMILESCNNC(CC(C)(C)C(=O)O)C(C)(C)CC(C)(C)C(N)=O
InChIInChI=1S/C15H31N3O3/c1-13(2,12(20)21)8-10(18-17-7)14(3,4)9-15(5,6)11(16)19/h10,17-18H,8-9H2,1-7H3,(H2,16,19)(H,20,21)
InChIKeyPAFVNWLBXPNRGK-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.51
Rot. Bonds9

About 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid

8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid (PubChem CID 163858247) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid
PubChem CID163858247
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid
SMILESCNNC(CC(C)(C)C(=O)O)C(C)(C)CC(C)(C)C(N)=O
InChIInChI=1S/C15H31N3O3/c1-13(2,12(20)21)8-10(18-17-7)14(3,4)9-15(5,6)11(16)19/h10,17-18H,8-9H2,1-7H3,(H2,16,19)(H,20,21)
InChIKeyPAFVNWLBXPNRGK-UHFFFAOYSA-N
XLogP1.51
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
4-amino-2,2-dimethylhexanoic acid
CID 91454797
5-(dimethylphosphorylmethyl)-2,2,4,4,7,7-hexamethyloctanedioic acid
CID 91520019
4-amino-2,2-dimethylbutanamide
CID 23366310
2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one
CID 174038150
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
2,2,4-trimethylhexanoic acid
CID 15564208
2,2,4-trimethylhexanamide
CID 173326530
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2,2,4,4-tetramethyl-6-oxo-5-(propan-2-ylamino)-6-sulfanylhexanoic acid
CID 174291605
2,2-dimethyl-4-(methylamino)-4-phenylbutanoic acid
CID 116953706

Frequently Asked Questions

What is the IUPAC name of 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid?
The IUPAC name of 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid (CID 163858247) is 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid?
The canonical SMILES for 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid is CNNC(CC(C)(C)C(=O)O)C(C)(C)CC(C)(C)C(N)=O.
What is the InChIKey of 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid?
The InChIKey is PAFVNWLBXPNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-13(2,12(20)21)8-10(18-17-7)14(3,4)9-15(5,6)11(16)19/h10,17-18H,8-9H2,1-7H3,(H2,16,19)(H,20,21).
What are the key properties of 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid?
8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid has a molecular weight of 301.43 g/mol, XLogP of 1.51, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2,2,5,5,7,7-hexamethyl-4-(2-methylhydrazinyl)-8-oxooctanoic acid is sourced from PubChem (CID 163858247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).