trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid

C14H17NO4 — CID 125131961

IUPACtrans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)O)Oc1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(19-10-5-3-2-4-6-10)8-15-13(16)11-7-12(11)14(17)18/h2-6,9,11-12H,7-8H2,1H3,(H,15,16)(H,17,18)/t9-,11+,12+/m1/s1
InChIKeyQRUOCDFEIDZJSO-USWWRNFRSA-N
MW263.29 g/mol
LogP1.29
Rot. Bonds6

About trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125131961) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125131961
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nametrans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)O)Oc1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(19-10-5-3-2-4-6-10)8-15-13(16)11-7-12(11)14(17)18/h2-6,9,11-12H,7-8H2,1H3,(H,15,16)(H,17,18)/t9-,11+,12+/m1/s1
InChIKeyQRUOCDFEIDZJSO-USWWRNFRSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
2-(2-phenylsulfanylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 119186686
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-[2-(4-chlorophenoxy)propyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71993784
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
CID 119734644
4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672729
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 125131961) is trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid is C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)O)Oc1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QRUOCDFEIDZJSO-USWWRNFRSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(19-10-5-3-2-4-6-10)8-15-13(16)11-7-12(11)14(17)18/h2-6,9,11-12H,7-8H2,1H3,(H,15,16)(H,17,18)/t9-,11+,12+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125131961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).