ethane;propyl 2-(propan-2-ylamino)acetate

C10H23NO2 — CID 158517744

IUPACethane;propyl 2-(propan-2-ylamino)acetate
SMILESCC.CCCOC(=O)CNC(C)C
InChIInChI=1S/C8H17NO2.C2H6/c1-4-5-11-8(10)6-9-7(2)3;1-2/h7,9H,4-6H2,1-3H3;1-2H3
InChIKeyHLVJZDFVNIDJIC-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.96
Rot. Bonds5

About ethane;propyl 2-(propan-2-ylamino)acetate

ethane;propyl 2-(propan-2-ylamino)acetate (PubChem CID 158517744) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;propyl 2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Nameethane;propyl 2-(propan-2-ylamino)acetate
PubChem CID158517744
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;propyl 2-(propan-2-ylamino)acetate
SMILESCC.CCCOC(=O)CNC(C)C
InChIInChI=1S/C8H17NO2.C2H6/c1-4-5-11-8(10)6-9-7(2)3;1-2/h7,9H,4-6H2,1-3H3;1-2H3
InChIKeyHLVJZDFVNIDJIC-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentyl 2-(propan-2-ylamino)acetate
CID 61304310
3-methoxypropyl 2-(propan-2-ylamino)acetate
CID 61277386
amino 2-(propan-2-ylamino)acetate
CID 118670868
2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid
CID 151028201
ethoxycarbonyl 2-(propan-2-ylamino)acetate
CID 174827011
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
propyl 3-aminobutanoate
CID 43247954
butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 79248871
butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416491
3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534

Frequently Asked Questions

What is the IUPAC name of ethane;propyl 2-(propan-2-ylamino)acetate?
The IUPAC name of ethane;propyl 2-(propan-2-ylamino)acetate (CID 158517744) is ethane;propyl 2-(propan-2-ylamino)acetate.
What is the SMILES notation for ethane;propyl 2-(propan-2-ylamino)acetate?
The canonical SMILES for ethane;propyl 2-(propan-2-ylamino)acetate is CC.CCCOC(=O)CNC(C)C.
What is the InChIKey of ethane;propyl 2-(propan-2-ylamino)acetate?
The InChIKey is HLVJZDFVNIDJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-4-5-11-8(10)6-9-7(2)3;1-2/h7,9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;propyl 2-(propan-2-ylamino)acetate?
ethane;propyl 2-(propan-2-ylamino)acetate has a molecular weight of 189.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propyl 2-(propan-2-ylamino)acetate is sourced from PubChem (CID 158517744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).