sodium;hydride;pentyl 2-(methylamino)acetate

C8H18NNaO2 — CID 173079767

IUPACsodium;hydride;pentyl 2-(methylamino)acetate
SMILESCCCCCOC(=O)CNC.[H-].[Na+]
InChIInChI=1S/C8H17NO2.Na.H/c1-3-4-5-6-11-8(10)7-9-2;;/h9H,3-7H2,1-2H3;;/q;+1;-1
InChIKeyKGPUFPLAHDUHFA-UHFFFAOYSA-N
MW183.23 g/mol
LogP-1.94
Rot. Bonds6

About sodium;hydride;pentyl 2-(methylamino)acetate

sodium;hydride;pentyl 2-(methylamino)acetate (PubChem CID 173079767) has the molecular formula C8H18NNaO2 and a molecular weight of 183.23 g/mol. Its IUPAC name is sodium;hydride;pentyl 2-(methylamino)acetate.

Molecular Properties

Compound Namesodium;hydride;pentyl 2-(methylamino)acetate
PubChem CID173079767
Molecular FormulaC8H18NNaO2
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Namesodium;hydride;pentyl 2-(methylamino)acetate
SMILESCCCCCOC(=O)CNC.[H-].[Na+]
InChIInChI=1S/C8H17NO2.Na.H/c1-3-4-5-6-11-8(10)7-9-2;;/h9H,3-7H2,1-2H3;;/q;+1;-1
InChIKeyKGPUFPLAHDUHFA-UHFFFAOYSA-N
XLogP-1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 156540534
CID 156540534
butyl 2-(methylamino)acetate;methane
CID 157477406
[(Z)-octadec-9-enyl] 2-(methylamino)acetate
CID 6436362
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
sodium;hydride;octadecyl hexadecanoate
CID 174467496
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid
CID 174968836
dioctyl propanedioate;titanium
CID 174779164
sodium;dodecyl 2-chloroacetate;hydride
CID 175130022
calcium;hydride;3-oxo-3-undecoxypropanoic acid
CID 174967752
1-O-methyl 6-O-octadecyl hexanedioate
CID 91718016

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;pentyl 2-(methylamino)acetate?
The IUPAC name of sodium;hydride;pentyl 2-(methylamino)acetate (CID 173079767) is sodium;hydride;pentyl 2-(methylamino)acetate.
What is the SMILES notation for sodium;hydride;pentyl 2-(methylamino)acetate?
The canonical SMILES for sodium;hydride;pentyl 2-(methylamino)acetate is CCCCCOC(=O)CNC.[H-].[Na+].
What is the InChIKey of sodium;hydride;pentyl 2-(methylamino)acetate?
The InChIKey is KGPUFPLAHDUHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.Na.H/c1-3-4-5-6-11-8(10)7-9-2;;/h9H,3-7H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;pentyl 2-(methylamino)acetate?
sodium;hydride;pentyl 2-(methylamino)acetate has a molecular weight of 183.23 g/mol, XLogP of -1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;pentyl 2-(methylamino)acetate is sourced from PubChem (CID 173079767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).