methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate

C13H17NO4 — CID 99830626

IUPACmethyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccoc1)C1CCC1
InChIInChI=1S/C13H17NO4/c1-9(13(16)17-2)14(11-4-3-5-11)12(15)10-6-7-18-8-10/h6-9,11H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyDMEFJWYQCQKZAL-VIFPVBQESA-N
MW251.28 g/mol
LogP1.84
Rot. Bonds4

About methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate

methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate (PubChem CID 99830626) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate
PubChem CID99830626
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccoc1)C1CCC1
InChIInChI=1S/C13H17NO4/c1-9(13(16)17-2)14(11-4-3-5-11)12(15)10-6-7-18-8-10/h6-9,11H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyDMEFJWYQCQKZAL-VIFPVBQESA-N
XLogP1.84
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
CID 99795385
methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate
CID 86819610
methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 119048225
N-(3-aminopropyl)-N-cycloheptylfuran-3-carboxamide
CID 43136891
methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate
CID 102234104
N-methoxyfuran-3-carboxamide
CID 60701103
methyl 4-[2-[benzoyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679333
2-cyclopropyl-1-(furan-3-yl)propan-1-one
CID 114971750
N-cyclopropyl-N-(2-hydroxyethyl)furan-3-carboxamide
CID 43576881
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780210
N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
CID 47089544
6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone
CID 114971785

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate (CID 99830626) is methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)N(C(=O)c1ccoc1)C1CCC1.
What is the InChIKey of methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate?
The InChIKey is DMEFJWYQCQKZAL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(13(16)17-2)14(11-4-3-5-11)12(15)10-6-7-18-8-10/h6-9,11H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate?
methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate is sourced from PubChem (CID 99830626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).