cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C15H19NO4 — CID 125132224

IUPACcis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-9(2)20-11-5-3-10(4-6-11)8-16-14(17)12-7-13(12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyZRJYDTMDODCHHE-QWHCGFSZSA-N
MW277.32 g/mol
LogP1.81
Rot. Bonds6

About cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125132224) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125132224
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-9(2)20-11-5-3-10(4-6-11)8-16-14(17)12-7-13(12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKeyZRJYDTMDODCHHE-QWHCGFSZSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 110013989
trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381
trans-(1S,2S)-2-[[4-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131684
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961
cis-(1R,2S)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131870
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 125132224) is cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZRJYDTMDODCHHE-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(2)20-11-5-3-10(4-6-11)8-16-14(17)12-7-13(12)15(18)19/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125132224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).