cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C18H19NO5 — CID 120675727

IUPACcis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1occc1COc1ccccc1
InChIInChI=1S/C18H19NO5/c20-17(19-14-7-6-12(10-14)18(21)22)16-13(8-9-23-16)11-24-15-4-2-1-3-5-15/h1-5,8-9,12,14H,6-7,10-11H2,(H,19,20)(H,21,22)/t12-,14+/m0/s1
InChIKeyYBSAVCGOQAWENR-GXTWGEPZSA-N
MW329.35 g/mol
LogP2.84
Rot. Bonds6

About cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675727) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675727
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namecis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1occc1COc1ccccc1
InChIInChI=1S/C18H19NO5/c20-17(19-14-7-6-12(10-14)18(21)22)16-13(8-9-23-16)11-24-15-4-2-1-3-5-15/h1-5,8-9,12,14H,6-7,10-11H2,(H,19,20)(H,21,22)/t12-,14+/m0/s1
InChIKeyYBSAVCGOQAWENR-GXTWGEPZSA-N
XLogP2.84
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide
CID 55705286
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677452
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(oxolan-2-ylmethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 43044718
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56533885
N-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-3-(phenoxymethyl)furan-2-carboxamide
CID 100899029
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120675727) is cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1occc1COc1ccccc1.
What is the InChIKey of cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YBSAVCGOQAWENR-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H19NO5/c20-17(19-14-7-6-12(10-14)18(21)22)16-13(8-9-23-16)11-24-15-4-2-1-3-5-15/h1-5,8-9,12,14H,6-7,10-11H2,(H,19,20)(H,21,22)/t12-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 329.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).