methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate

C14H21NO3 — CID 94489479

IUPACmethyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate
SMILESCOC(=O)CCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1
InChIInChI=1S/C14H21NO3/c1-10-8-12(10)13-5-4-11(18-13)9-15(2)7-6-14(16)17-3/h4-5,10,12H,6-9H2,1-3H3/t10-,12-/m1/s1
InChIKeyMQYQMHYENUUGRE-ZYHUDNBSSA-N
MW251.33 g/mol
LogP2.40
Rot. Bonds6

About methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate

methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate (PubChem CID 94489479) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate
PubChem CID94489479
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate
SMILESCOC(=O)CCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1
InChIInChI=1S/C14H21NO3/c1-10-8-12(10)13-5-4-11(18-13)9-15(2)7-6-14(16)17-3/h4-5,10,12H,6-9H2,1-3H3/t10-,12-/m1/s1
InChIKeyMQYQMHYENUUGRE-ZYHUDNBSSA-N
XLogP2.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate (CID 94489479) is methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate is COC(=O)CCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1.
What is the InChIKey of methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate?
The InChIKey is MQYQMHYENUUGRE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-8-12(10)13-5-4-11(18-13)9-15(2)7-6-14(16)17-3/h4-5,10,12H,6-9H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate?
methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate is sourced from PubChem (CID 94489479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).