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

C26H31N3O2 — CID 10811911

IUPAC(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H31N3O2/c27-18-13-11-17(12-14-18)16-28-25(30)23-10-5-15-29(23)26(31)24-21-8-3-1-6-19(21)20-7-2-4-9-22(20)24/h1-4,6-9,17-18,23-24H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1
InChIKeyNJTCONFLTXSZSA-KXXGJQBSSA-N
MW417.55 g/mol
LogP3.42
Rot. Bonds4

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

(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 10811911) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide
PubChem CID10811911
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H31N3O2/c27-18-13-11-17(12-14-18)16-28-25(30)23-10-5-15-29(23)26(31)24-21-8-3-1-6-19(21)20-7-2-4-9-22(20)24/h1-4,6-9,17-18,23-24H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1
InChIKeyNJTCONFLTXSZSA-KXXGJQBSSA-N
XLogP3.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide (CID 10811911) is (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide is NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is NJTCONFLTXSZSA-KXXGJQBSSA-N. The full InChI is InChI=1S/C26H31N3O2/c27-18-13-11-17(12-14-18)16-28-25(30)23-10-5-15-29(23)26(31)24-21-8-3-1-6-19(21)20-7-2-4-9-22(20)24/h1-4,6-9,17-18,23-24H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1.
What are the key properties of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(9H-fluorene-9-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10811911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).