(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid

C14H22N2O4 — CID 88885614

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid
SMILESO=CN[C@H](C(=O)N1CCC[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H22N2O4/c17-9-15-12(10-5-2-1-3-6-10)13(18)16-8-4-7-11(16)14(19)20/h9-12H,1-8H2,(H,15,17)(H,19,20)/t11-,12-/m0/s1
InChIKeyUOILCPUTKLILNB-RYUDHWBXSA-N
MW282.34 g/mol
LogP0.76
Rot. Bonds5

About (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid (PubChem CID 88885614) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid
PubChem CID88885614
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid
SMILESO=CN[C@H](C(=O)N1CCC[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H22N2O4/c17-9-15-12(10-5-2-1-3-6-10)13(18)16-8-4-7-11(16)14(19)20/h9-12H,1-8H2,(H,15,17)(H,19,20)/t11-,12-/m0/s1
InChIKeyUOILCPUTKLILNB-RYUDHWBXSA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 166747936
1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 22665766
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
CID 54342088
(2S)-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 11501269
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid
CID 103513364
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2S)-1-[(2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 11186833
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid (CID 88885614) is (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid is O=CN[C@H](C(=O)N1CCC[C@H]1C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UOILCPUTKLILNB-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-9-15-12(10-5-2-1-3-6-10)13(18)16-8-4-7-11(16)14(19)20/h9-12H,1-8H2,(H,15,17)(H,19,20)/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 88885614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).