cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid

C19H20N2O6 — CID 120676823

IUPACcis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C19H20N2O6/c22-17(20-14-7-6-12(9-14)19(24)25)11-27-15-4-1-3-13(10-15)21-18(23)16-5-2-8-26-16/h1-5,8,10,12,14H,6-7,9,11H2,(H,20,22)(H,21,23)(H,24,25)/t12-,14+/m0/s1
InChIKeyLMMAUDUDMKOJEK-GXTWGEPZSA-N
MW372.38 g/mol
LogP2.28
Rot. Bonds7

About cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676823) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676823
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Namecis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C19H20N2O6/c22-17(20-14-7-6-12(9-14)19(24)25)11-27-15-4-1-3-13(10-15)21-18(23)16-5-2-8-26-16/h1-5,8,10,12,14H,6-7,9,11H2,(H,20,22)(H,21,23)(H,24,25)/t12-,14+/m0/s1
InChIKeyLMMAUDUDMKOJEK-GXTWGEPZSA-N
XLogP2.28
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
N-[3-[2-[(2-methylpiperidin-4-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120601673
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119354069
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 51134706
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46475702

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid (CID 120676823) is cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(COc1cccc(NC(=O)c2ccco2)c1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LMMAUDUDMKOJEK-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H20N2O6/c22-17(20-14-7-6-12(9-14)19(24)25)11-27-15-4-1-3-13(10-15)21-18(23)16-5-2-8-26-16/h1-5,8,10,12,14H,6-7,9,11H2,(H,20,22)(H,21,23)(H,24,25)/t12-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).