2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

C19H33N3O5 — CID 19104225

IUPAC2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCCCCC1CCCCC1)C(CO)NC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C19H33N3O5/c23-13-15(21-18(25)16-10-6-12-22(16)19(26)27)17(24)20-11-5-4-9-14-7-2-1-3-8-14/h14-16,23H,1-13H2,(H,20,24)(H,21,25)(H,26,27)
InChIKeyHHOHFITZNBHHFM-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.47
Rot. Bonds9

About 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 19104225) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID19104225
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Name2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(NCCCCC1CCCCC1)C(CO)NC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C19H33N3O5/c23-13-15(21-18(25)16-10-6-12-22(16)19(26)27)17(24)20-11-5-4-9-14-7-2-1-3-8-14/h14-16,23H,1-13H2,(H,20,24)(H,21,25)(H,26,27)
InChIKeyHHOHFITZNBHHFM-UHFFFAOYSA-N
XLogP1.47
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 19104225) is 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is O=C(NCCCCC1CCCCC1)C(CO)NC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is HHOHFITZNBHHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O5/c23-13-15(21-18(25)16-10-6-12-22(16)19(26)27)17(24)20-11-5-4-9-14-7-2-1-3-8-14/h14-16,23H,1-13H2,(H,20,24)(H,21,25)(H,26,27).
What are the key properties of 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 383.49 g/mol, XLogP of 1.47, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 19104225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).