(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid

C29H25NO4 — CID 54171762

IUPAC(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C29H25NO4/c1-30(27(28(31)32)17-19-14-15-20-8-2-3-9-21(20)16-19)29(33)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-16,26-27H,17-18H2,1H3,(H,31,32)/t27-/m1/s1
InChIKeyOVNHOSZZFGJIPG-HHHXNRCGSA-N
MW451.52 g/mol
LogP5.72
Rot. Bonds6

About (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid (PubChem CID 54171762) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
PubChem CID54171762
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Name(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C29H25NO4/c1-30(27(28(31)32)17-19-14-15-20-8-2-3-9-21(20)16-19)29(33)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-16,26-27H,17-18H2,1H3,(H,31,32)/t27-/m1/s1
InChIKeyOVNHOSZZFGJIPG-HHHXNRCGSA-N
XLogP5.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(3-propan-2-ylphenyl)propanoic acid
CID 155695169
(2S)-2-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoic acid
CID 175971001
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 73090543
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
CID 172529478
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanoic acid
CID 155695299
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(6-methyl-3-pyridinyl)propanoic acid
CID 155695232
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 174175763
3-(5-chloro-3-pyridinyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155695585
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride
CID 175195517
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylsulfanylbutanoic acid
CID 57363978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid (CID 54171762) is (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is OVNHOSZZFGJIPG-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H25NO4/c1-30(27(28(31)32)17-19-14-15-20-8-2-3-9-21(20)16-19)29(33)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-16,26-27H,17-18H2,1H3,(H,31,32)/t27-/m1/s1.
What are the key properties of (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid?
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 451.52 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 54171762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).