(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid

C15H25NO4 — CID 124689424

IUPAC(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H](OC1CCCCCC1)C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H25NO4/c1-11(20-13-6-4-2-3-5-7-13)14(17)16-9-8-12(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t11-,12-/m1/s1
InChIKeyBYKJEMHNXWATRC-VXGBXAGGSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds4

About (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 124689424) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid
PubChem CID124689424
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H](OC1CCCCCC1)C(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H25NO4/c1-11(20-13-6-4-2-3-5-7-13)14(17)16-9-8-12(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t11-,12-/m1/s1
InChIKeyBYKJEMHNXWATRC-VXGBXAGGSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyloxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119541479
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 124689535
1-[2-(cyclopentanecarbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355100
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
CID 103840976
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
2-(2-aminocyclohexyl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 113395322
(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638949
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
CID 124689519

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid (CID 124689424) is (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid is C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BYKJEMHNXWATRC-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11(20-13-6-4-2-3-5-7-13)14(17)16-9-8-12(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t11-,12-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124689424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).