[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate

C17H24N2O5 — CID 18280287

IUPAC[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCC(OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)N1CCCCCC1
InChIInChI=1S/C17H24N2O5/c1-12(18-15(20)14-8-7-11-23-14)17(22)24-13(2)16(21)19-9-5-3-4-6-10-19/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20)/t12-,13?/m0/s1
InChIKeyYYTIKPDLFMGHRL-UEWDXFNNSA-N
MW336.39 g/mol
LogP1.73
Rot. Bonds5

About [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate

[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 18280287) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID18280287
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCC(OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)N1CCCCCC1
InChIInChI=1S/C17H24N2O5/c1-12(18-15(20)14-8-7-11-23-14)17(22)24-13(2)16(21)19-9-5-3-4-6-10-19/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20)/t12-,13?/m0/s1
InChIKeyYYTIKPDLFMGHRL-UEWDXFNNSA-N
XLogP1.73
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate with MolForge

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Related Compounds

N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 30798104
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738158
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2459579
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
CID 30825149
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
CID 159951428
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738110
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
CID 42971861
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738121

Frequently Asked Questions

What is the IUPAC name of [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate (CID 18280287) is [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate is CC(OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)N1CCCCCC1.
What is the InChIKey of [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is YYTIKPDLFMGHRL-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-12(18-15(20)14-8-7-11-23-14)17(22)24-13(2)16(21)19-9-5-3-4-6-10-19/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20)/t12-,13?/m0/s1.
What are the key properties of [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 336.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 18280287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).