(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid

C27H27NO4 — CID 177277596

IUPAC(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C27H27NO4/c1-28(20(15-16-26(29)30)17-19-9-3-2-4-10-19)27(31)32-18-25-23-13-7-5-11-21(23)22-12-6-8-14-24(22)25/h2-14,20,25H,15-18H2,1H3,(H,29,30)/t20-/m1/s1
InChIKeyYYFILSOINXSJSI-HXUWFJFHSA-N
MW429.52 g/mol
LogP5.34
Rot. Bonds8

About (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid

(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid (PubChem CID 177277596) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid
PubChem CID177277596
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C27H27NO4/c1-28(20(15-16-26(29)30)17-19-9-3-2-4-10-19)27(31)32-18-25-23-13-7-5-11-21(23)22-12-6-8-14-24(22)25/h2-14,20,25H,15-18H2,1H3,(H,29,30)/t20-/m1/s1
InChIKeyYYFILSOINXSJSI-HXUWFJFHSA-N
XLogP5.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid
CID 146596692
(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 172915965
(2S)-2-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoic acid
CID 175971001
(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxo-5-(2-phenylpropan-2-yloxy)pentanoic acid
CID 176636844
9H-fluoren-9-ylmethyl N-[(2S)-1-chloro-1-oxopentan-2-yl]-N-methylcarbamate
CID 176832325
4-(dimethylamino)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 151522504
(2,3,4,5,6-pentafluorophenyl) (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoate
CID 146680015
(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(3-methoxy-3-oxopropyl)amino]-5-oxopentanoic acid
CID 129031092
4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid
CID 170871538
9H-fluoren-9-ylmethyl N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 163290440
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 73090543

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid?
The IUPAC name of (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid (CID 177277596) is (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCC(=O)O)Cc1ccccc1.
What is the InChIKey of (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid?
The InChIKey is YYFILSOINXSJSI-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27NO4/c1-28(20(15-16-26(29)30)17-19-9-3-2-4-10-19)27(31)32-18-25-23-13-7-5-11-21(23)22-12-6-8-14-24(22)25/h2-14,20,25H,15-18H2,1H3,(H,29,30)/t20-/m1/s1.
What are the key properties of (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid?
(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid has a molecular weight of 429.52 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 177277596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).