methyl 4-(furan-2-ylmethylamino)butanoate

C10H15NO3 — CID 30403384

IUPACmethyl 4-(furan-2-ylmethylamino)butanoate
SMILESCOC(=O)CCCNCc1ccco1
InChIInChI=1S/C10H15NO3/c1-13-10(12)5-2-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyHCEYVXZRYXRNNC-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.32
Rot. Bonds6

About methyl 4-(furan-2-ylmethylamino)butanoate

methyl 4-(furan-2-ylmethylamino)butanoate (PubChem CID 30403384) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 4-(furan-2-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(furan-2-ylmethylamino)butanoate
PubChem CID30403384
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 4-(furan-2-ylmethylamino)butanoate
SMILESCOC(=O)CCCNCc1ccco1
InChIInChI=1S/C10H15NO3/c1-13-10(12)5-2-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyHCEYVXZRYXRNNC-UHFFFAOYSA-N
XLogP1.32
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
CID 77029971
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate
CID 164839099
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 139215995

Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-ylmethylamino)butanoate?
The IUPAC name of methyl 4-(furan-2-ylmethylamino)butanoate (CID 30403384) is methyl 4-(furan-2-ylmethylamino)butanoate.
What is the SMILES notation for methyl 4-(furan-2-ylmethylamino)butanoate?
The canonical SMILES for methyl 4-(furan-2-ylmethylamino)butanoate is COC(=O)CCCNCc1ccco1.
What is the InChIKey of methyl 4-(furan-2-ylmethylamino)butanoate?
The InChIKey is HCEYVXZRYXRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-13-10(12)5-2-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3.
What are the key properties of methyl 4-(furan-2-ylmethylamino)butanoate?
methyl 4-(furan-2-ylmethylamino)butanoate has a molecular weight of 197.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-ylmethylamino)butanoate is sourced from PubChem (CID 30403384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).