cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate

C17H23NO4 — CID 124840608

IUPACcis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C17H23NO4/c1-21-17(20)11-6-3-2-4-7-14(11)18-16(19)13-10-12(13)15-8-5-9-22-15/h5,8-9,11-14H,2-4,6-7,10H2,1H3,(H,18,19)/t11-,12-,13+,14+/m1/s1
InChIKeyHVGFFDFRDWPNKU-MQYQWHSLSA-N
MW305.37 g/mol
LogP2.62
Rot. Bonds4

About cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate

cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate (PubChem CID 124840608) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate
PubChem CID124840608
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namecis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C17H23NO4/c1-21-17(20)11-6-3-2-4-7-14(11)18-16(19)13-10-12(13)15-8-5-9-22-15/h5,8-9,11-14H,2-4,6-7,10H2,1H3,(H,18,19)/t11-,12-,13+,14+/m1/s1
InChIKeyHVGFFDFRDWPNKU-MQYQWHSLSA-N
XLogP2.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate with MolForge

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Related Compounds

methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863
trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124779575
cis-methyl (1S,2R)-2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclobutane-1-carboxylate
CID 101218865
ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
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cyclopropyl-[2-(furan-2-yl)cyclopropyl]methanone
CID 549488
N-cyclohexyl-1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 75405699
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
2-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
CID 86852643
trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 99588473
methyl 4-chloro-3-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]benzoate
CID 86851547
2-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-6-methylbenzamide
CID 86851867

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate (CID 124840608) is cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate is COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccco1.
What is the InChIKey of cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate?
The InChIKey is HVGFFDFRDWPNKU-MQYQWHSLSA-N. The full InChI is InChI=1S/C17H23NO4/c1-21-17(20)11-6-3-2-4-7-14(11)18-16(19)13-10-12(13)15-8-5-9-22-15/h5,8-9,11-14H,2-4,6-7,10H2,1H3,(H,18,19)/t11-,12-,13+,14+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate?
cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate is sourced from PubChem (CID 124840608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).