3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid

C24H27NO5 — CID 71028235

IUPAC3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
SMILESCOC(C(C)C(=O)O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO5/c1-15(23(26)27)22(29-2)21-12-7-13-25(21)24(28)30-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,26,27)/t15?,21-,22?/m0/s1
InChIKeyPRTOFBNKUJDFQR-DKXYKWQCSA-N
MW409.48 g/mol
LogP4.14
Rot. Bonds6

About 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid

3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid (PubChem CID 71028235) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
PubChem CID71028235
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
SMILESCOC(C(C)C(=O)O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO5/c1-15(23(26)27)22(29-2)21-12-7-13-25(21)24(28)30-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,26,27)/t15?,21-,22?/m0/s1
InChIKeyPRTOFBNKUJDFQR-DKXYKWQCSA-N
XLogP4.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl (2S)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
CID 18610696
9H-fluoren-9-ylmethyl (2S)-2-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-5-yl)ethyl]amino]propyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 10818432
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
9H-fluoren-9-ylmethyl 2-(1-methoxyethyl)-4-methylpyrrolidine-1-carboxylate
CID 91556810
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
3-[1-[4-butan-2-yl-9-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methoxy-6,7,10-trimethyl-8-oxoundecanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 123448795
9H-fluoren-9-ylmethyl (2S)-2-[[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 67892308
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid (CID 71028235) is 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid is COC(C(C)C(=O)O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid?
The InChIKey is PRTOFBNKUJDFQR-DKXYKWQCSA-N. The full InChI is InChI=1S/C24H27NO5/c1-15(23(26)27)22(29-2)21-12-7-13-25(21)24(28)30-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,26,27)/t15?,21-,22?/m0/s1.
What are the key properties of 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid?
3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid has a molecular weight of 409.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 71028235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).