(4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid

C24H24F2N2O5 — CID 169198775

IUPAC(4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOC[C@@H]1CC(C(=O)O)N(C(=O)CNC(=O)c2ccc3c(c2)-c2ccc(C)cc2C3(F)F)C1
InChIInChI=1S/C24H24F2N2O5/c1-13-3-5-16-17-9-15(4-6-18(17)24(25,26)19(16)7-13)22(30)27-10-21(29)28-11-14(12-33-2)8-20(28)23(31)32/h3-7,9,14,20H,8,10-12H2,1-2H3,(H,27,30)(H,31,32)/t14-,20?/m1/s1
InChIKeyKLRKHNCQFPIDLZ-QMRFKDRMSA-N
MW458.46 g/mol
LogP2.79
Rot. Bonds6

About (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid

(4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 169198775) has the molecular formula C24H24F2N2O5 and a molecular weight of 458.46 g/mol. Its IUPAC name is (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID169198775
Molecular FormulaC24H24F2N2O5
Molecular Weight458.46 g/mol
Exact Mass458.17
IUPAC Name(4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOC[C@@H]1CC(C(=O)O)N(C(=O)CNC(=O)c2ccc3c(c2)-c2ccc(C)cc2C3(F)F)C1
InChIInChI=1S/C24H24F2N2O5/c1-13-3-5-16-17-9-15(4-6-18(17)24(25,26)19(16)7-13)22(30)27-10-21(29)28-11-14(12-33-2)8-20(28)23(31)32/h3-7,9,14,20H,8,10-12H2,1-2H3,(H,27,30)(H,31,32)/t14-,20?/m1/s1
InChIKeyKLRKHNCQFPIDLZ-QMRFKDRMSA-N
XLogP2.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-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

Related Compounds

(2S,4R)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 170299427
methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate
CID 169198050
(2S,4R)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-ethylsulfanylpyrrolidine-2-carboxylic acid
CID 170165779
(2S,4S)-N-[(1R)-1-(4-carbamimidoylthiophen-2-yl)ethyl]-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxamide
CID 169197735
N-[(1R)-1-(4-carbamimidoylthiophen-2-yl)ethyl]-1-[2-[(9,9-difluorofluorene-2-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxamide
CID 169199235
methyl (2S)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-methylidenepyrrolidine-2-carboxylate
CID 170296825
methyl (2S,4S)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-(hydroxymethyl)-4-methylpyrrolidine-2-carboxylate
CID 170293366
benzyl (2S,4R)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylate
CID 170292614
(2S,4R)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-fluoro-4-[(8-methoxy-8-oxooctoxy)methyl]pyrrolidine-2-carboxylic acid
CID 169197504
9,9-difluoro-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 170299334
N-[(1R)-1-(4-carbamimidoylthiophen-2-yl)ethyl]-1-[2-[(9,9-dimethylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxamide
CID 169199012
N-[(1R)-1-(4-carbamimidoylthiophen-2-yl)ethyl]-7-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 170163784

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid (CID 169198775) is (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid is COC[C@@H]1CC(C(=O)O)N(C(=O)CNC(=O)c2ccc3c(c2)-c2ccc(C)cc2C3(F)F)C1.
What is the InChIKey of (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KLRKHNCQFPIDLZ-QMRFKDRMSA-N. The full InChI is InChI=1S/C24H24F2N2O5/c1-13-3-5-16-17-9-15(4-6-18(17)24(25,26)19(16)7-13)22(30)27-10-21(29)28-11-14(12-33-2)8-20(28)23(31)32/h3-7,9,14,20H,8,10-12H2,1-2H3,(H,27,30)(H,31,32)/t14-,20?/m1/s1.
What are the key properties of (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
(4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 458.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 169198775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).