butyl 2-(propan-2-ylamino)butanoate

C11H23NO2 — CID 59000489

IUPACbutyl 2-(propan-2-ylamino)butanoate
SMILESCCCCOC(=O)C(CC)NC(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-8-14-11(13)10(6-2)12-9(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWOHKJRWOQFIXAN-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds7

About butyl 2-(propan-2-ylamino)butanoate

butyl 2-(propan-2-ylamino)butanoate (PubChem CID 59000489) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is butyl 2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namebutyl 2-(propan-2-ylamino)butanoate
PubChem CID59000489
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namebutyl 2-(propan-2-ylamino)butanoate
SMILESCCCCOC(=O)C(CC)NC(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-8-14-11(13)10(6-2)12-9(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWOHKJRWOQFIXAN-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
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

butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 146262940
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
1-O-butyl 4-O-ethyl 2-(butan-2-ylamino)butanedioate
CID 10635994
butyl 3-hydroxy-2-methylpropanoate
CID 14114440
butyl (2S)-2-aminopropanoate;2-hydroxypropanoic acid
CID 87380952
ethyl 2-(heptan-2-ylamino)butanoate
CID 64668767
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
1-O-butyl 3-O-methyl 2-aminopropanedioate
CID 54125098
dibutyl 2-ethyl-4-methylpentanedioate
CID 146956959
butyl N-(1-aminoethyl)carbamate
CID 87930052
butyl 2-methyloctanoate
CID 54180722
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335

Frequently Asked Questions

What is the IUPAC name of butyl 2-(propan-2-ylamino)butanoate?
The IUPAC name of butyl 2-(propan-2-ylamino)butanoate (CID 59000489) is butyl 2-(propan-2-ylamino)butanoate.
What is the SMILES notation for butyl 2-(propan-2-ylamino)butanoate?
The canonical SMILES for butyl 2-(propan-2-ylamino)butanoate is CCCCOC(=O)C(CC)NC(C)C.
What is the InChIKey of butyl 2-(propan-2-ylamino)butanoate?
The InChIKey is WOHKJRWOQFIXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-8-14-11(13)10(6-2)12-9(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of butyl 2-(propan-2-ylamino)butanoate?
butyl 2-(propan-2-ylamino)butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 59000489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).