(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid

C24H27NO6 — CID 129110739

IUPAC(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid
SMILESCC(C)(C)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C24H27NO6/c1-24(2,3)25(20(22(28)29)12-13-21(26)27)23(30)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,26,27)(H,28,29)/t20-/m0/s1
InChIKeyYHLWNXSRAREOEG-FQEVSTJZSA-N
MW425.48 g/mol
LogP4.35
Rot. Bonds7

About (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid

(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid (PubChem CID 129110739) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid
PubChem CID129110739
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid
SMILESCC(C)(C)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C24H27NO6/c1-24(2,3)25(20(22(28)29)12-13-21(26)27)23(30)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,26,27)(H,28,29)/t20-/m0/s1
InChIKeyYHLWNXSRAREOEG-FQEVSTJZSA-N
XLogP4.35
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 172915965
(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxo-5-(2-phenylpropan-2-yloxy)pentanoic acid
CID 176636844
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[2-(2-methoxyethoxy)ethyl]amino]pentanedioic acid
CID 54036337
(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-oxo-4-[(E)-4-oxo-4-phenylbut-2-en-2-yl]oxybutanoic acid
CID 175153672
2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
CID 155888114
(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(hexadecanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 162769971
(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid
CID 177277596
(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(3-methoxy-3-oxopropyl)amino]-5-oxopentanoic acid
CID 129031092
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxy-4-methylpentanoic acid
CID 106676038
1-O-tert-butyl 5-O-(1,3-dioxoisoindol-2-yl) (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanedioate;(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 165063178
(4S)-5-amino-4-[(3,5-difluorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]-5-oxopentanoic acid
CID 67335091
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid (CID 129110739) is (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid is CC(C)(C)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid?
The InChIKey is YHLWNXSRAREOEG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27NO6/c1-24(2,3)25(20(22(28)29)12-13-21(26)27)23(30)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,26,27)(H,28,29)/t20-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid?
(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid has a molecular weight of 425.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid is sourced from PubChem (CID 129110739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).