[3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate

C10H21N3O3 — CID 170030362

IUPAC[3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate
SMILESCN(C)CCC(=O)OCCC(=O)NN(C)C
InChIInChI=1S/C10H21N3O3/c1-12(2)7-5-10(15)16-8-6-9(14)11-13(3)4/h5-8H2,1-4H3,(H,11,14)
InChIKeyNHLUVWDEVAUAKH-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.54
Rot. Bonds7

About [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate

[3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate (PubChem CID 170030362) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate.

Molecular Properties

Compound Name[3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate
PubChem CID170030362
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name[3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate
SMILESCN(C)CCC(=O)OCCC(=O)NN(C)C
InChIInChI=1S/C10H21N3O3/c1-12(2)7-5-10(15)16-8-6-9(14)11-13(3)4/h5-8H2,1-4H3,(H,11,14)
InChIKeyNHLUVWDEVAUAKH-UHFFFAOYSA-N
XLogP-0.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
dodecyl 3-(dimethylamino)propanoate
CID 11483031
3-(dimethylamino)propyl 3-sulfanylpropanoate
CID 71427111
3-(dimethylamino)propanoic acid;dioctadecyl butanedioate
CID 177149030
butyl 4-(dimethylamino)butanoate
CID 89434908
methylsulfanylmethyl 3-(dimethylamino)propanoate
CID 129287916
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
3-O-[3-(dimethylamino)propyl] 1-O-methyl propanedioate
CID 168950303
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
tridecyl 3-[2-[bis[2-[methyl-(3-oxo-3-tridecoxypropyl)amino]ethyl]amino]ethyl-methylamino]propanoate
CID 73389311
3-[4-(dimethylamino)butoxy]-3-oxopropanoic acid
CID 87400379
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate?
The IUPAC name of [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate (CID 170030362) is [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate.
What is the SMILES notation for [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate?
The canonical SMILES for [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate is CN(C)CCC(=O)OCCC(=O)NN(C)C.
What is the InChIKey of [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate?
The InChIKey is NHLUVWDEVAUAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-12(2)7-5-10(15)16-8-6-9(14)11-13(3)4/h5-8H2,1-4H3,(H,11,14).
What are the key properties of [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate?
[3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate has a molecular weight of 231.30 g/mol, XLogP of -0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate is sourced from PubChem (CID 170030362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).