(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide

C26H31N3O3 — CID 10025885

IUPAC(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H31N3O3/c27-18-13-11-17(12-14-18)16-28-24(30)23-10-5-15-29(23)25(31)26(32)21-8-3-1-6-19(21)20-7-2-4-9-22(20)26/h1-4,6-9,17-18,23,32H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1
InChIKeyWJPYSLNVRNBWAJ-KXXGJQBSSA-N
MW433.55 g/mol
LogP2.53
Rot. Bonds4

About (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 10025885) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide
PubChem CID10025885
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H31N3O3/c27-18-13-11-17(12-14-18)16-28-24(30)23-10-5-15-29(23)25(31)26(32)21-8-3-1-6-19(21)20-7-2-4-9-22(20)26/h1-4,6-9,17-18,23,32H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1
InChIKeyWJPYSLNVRNBWAJ-KXXGJQBSSA-N
XLogP2.53
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide 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 (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide (CID 10025885) is (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide is NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is WJPYSLNVRNBWAJ-KXXGJQBSSA-N. The full InChI is InChI=1S/C26H31N3O3/c27-18-13-11-17(12-14-18)16-28-24(30)23-10-5-15-29(23)25(31)26(32)21-8-3-1-6-19(21)20-7-2-4-9-22(20)26/h1-4,6-9,17-18,23,32H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1.
What are the key properties of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10025885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).