methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate

C13H21NO3 — CID 66098609

IUPACmethyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate
SMILESCCC(CC(=O)OC)(c1ccco1)C(C)(C)N
InChIInChI=1S/C13H21NO3/c1-5-13(12(2,3)14,9-11(15)16-4)10-7-6-8-17-10/h6-8H,5,9,14H2,1-4H3
InChIKeyMNUDOHGPBHHEPC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.23
Rot. Bonds5

About methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate

methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate (PubChem CID 66098609) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate
PubChem CID66098609
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate
SMILESCCC(CC(=O)OC)(c1ccco1)C(C)(C)N
InChIInChI=1S/C13H21NO3/c1-5-13(12(2,3)14,9-11(15)16-4)10-7-6-8-17-10/h6-8H,5,9,14H2,1-4H3
InChIKeyMNUDOHGPBHHEPC-UHFFFAOYSA-N
XLogP2.23
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-(furan-2-yl)-2-hydroxypropanedioate
CID 12836548
2-(furan-2-yl)-2-methylbutanoate
CID 57375081
2-(furan-2-yl)-2-(methoxyamino)propanamide
CID 142650613
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
CID 66097321
ethyl 3-(furan-2-yl)-3-hydroxy-4-methylpentanoate
CID 121002413
2-(furan-2-yl)propan-2-yl 3-methylbutanoate
CID 58845611
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
CID 66099026
2-(furan-2-yl)-2-methoxypropanoic acid
CID 83827168
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate?
The IUPAC name of methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate (CID 66098609) is methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate.
What is the SMILES notation for methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate?
The canonical SMILES for methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate is CCC(CC(=O)OC)(c1ccco1)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate?
The InChIKey is MNUDOHGPBHHEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-13(12(2,3)14,9-11(15)16-4)10-7-6-8-17-10/h6-8H,5,9,14H2,1-4H3.
What are the key properties of methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate?
methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate has a molecular weight of 239.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate is sourced from PubChem (CID 66098609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).