(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid

C14H23NO4 — CID 90878993

IUPAC(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1CC[C@H](O)C1CCCCC1
InChIInChI=1S/C14H23NO4/c16-12(10-4-2-1-3-5-10)8-9-15-11(14(18)19)6-7-13(15)17/h10-12,16H,1-9H2,(H,18,19)/t11-,12+/m1/s1
InChIKeyWMHNZCWXRFYLKI-NEPJUHHUSA-N
MW269.34 g/mol
LogP1.39
Rot. Bonds5

About (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid

(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 90878993) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID90878993
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1CC[C@H](O)C1CCCCC1
InChIInChI=1S/C14H23NO4/c16-12(10-4-2-1-3-5-10)8-9-15-11(14(18)19)6-7-13(15)17/h10-12,16H,1-9H2,(H,18,19)/t11-,12+/m1/s1
InChIKeyWMHNZCWXRFYLKI-NEPJUHHUSA-N
XLogP1.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 91595253
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
1-(3-cyanopropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873820
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
CID 104808350
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 112590083
7-[(4R)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 11451483
7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788638

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid (CID 90878993) is (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCC(=O)N1CC[C@H](O)C1CCCCC1.
What is the InChIKey of (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is WMHNZCWXRFYLKI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23NO4/c16-12(10-4-2-1-3-5-10)8-9-15-11(14(18)19)6-7-13(15)17/h10-12,16H,1-9H2,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid?
(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90878993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).