cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid

C23H25NO4 — CID 120674882

IUPACcis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)C1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H25NO4/c25-22(24-18-9-6-17(12-18)23(26)27)21-13-20(21)16-7-10-19(11-8-16)28-14-15-4-2-1-3-5-15/h1-5,7-8,10-11,17-18,20-21H,6,9,12-14H2,(H,24,25)(H,26,27)/t17-,18+,20?,21?/m0/s1
InChIKeyBLLQAYAUIFHHJW-GTROLIPKSA-N
MW379.46 g/mol
LogP3.74
Rot. Bonds7

About cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120674882) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120674882
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namecis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)C1CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H25NO4/c25-22(24-18-9-6-17(12-18)23(26)27)21-13-20(21)16-7-10-19(11-8-16)28-14-15-4-2-1-3-5-15/h1-5,7-8,10-11,17-18,20-21H,6,9,12-14H2,(H,24,25)(H,26,27)/t17-,18+,20?,21?/m0/s1
InChIKeyBLLQAYAUIFHHJW-GTROLIPKSA-N
XLogP3.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 120674882) is cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)C1CC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is BLLQAYAUIFHHJW-GTROLIPKSA-N. The full InChI is InChI=1S/C23H25NO4/c25-22(24-18-9-6-17(12-18)23(26)27)21-13-20(21)16-7-10-19(11-8-16)28-14-15-4-2-1-3-5-15/h1-5,7-8,10-11,17-18,20-21H,6,9,12-14H2,(H,24,25)(H,26,27)/t17-,18+,20?,21?/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).