(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid

C27H21NO4 — CID 99909243

IUPAC(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid
SMILESCOC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C27H21NO4/c1-32-27(31)28(24(26(29)30)19-15-14-17-8-2-3-9-18(17)16-19)25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h2-16,24-25H,1H3,(H,29,30)/t24-/m0/s1
InChIKeyYDHWMONYLDMQBH-DEOSSOPVSA-N
MW423.47 g/mol
LogP5.80
Rot. Bonds4

About (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid

(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid (PubChem CID 99909243) has the molecular formula C27H21NO4 and a molecular weight of 423.47 g/mol. Its IUPAC name is (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid
PubChem CID99909243
Molecular FormulaC27H21NO4
Molecular Weight423.47 g/mol
Exact Mass423.15
IUPAC Name(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid
SMILESCOC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C27H21NO4/c1-32-27(31)28(24(26(29)30)19-15-14-17-8-2-3-9-18(17)16-19)25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h2-16,24-25H,1H3,(H,29,30)/t24-/m0/s1
InChIKeyYDHWMONYLDMQBH-DEOSSOPVSA-N
XLogP5.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
CID 70076002
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-4-phenylbutanoic acid
CID 53394977
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid
CID 138544790
(2R)-3-(1-benzothiophen-3-yl)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]propanoic acid
CID 68886027
(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid
CID 94011410
(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid
CID 141108437
2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid
CID 76853877
(2S)-5-amino-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]pentanoic acid;2,2,2-trifluoroacetic acid
CID 69014238
methyl 2-[(N-(4-methoxyphenyl)anilino)-naphthalen-2-ylmethyl]prop-2-enoate
CID 166440554
(2S)-2-[amino(naphthalen-2-yl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57367757
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 53398472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid?
The IUPAC name of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid (CID 99909243) is (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid?
The canonical SMILES for (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid is COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid?
The InChIKey is YDHWMONYLDMQBH-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H21NO4/c1-32-27(31)28(24(26(29)30)19-15-14-17-8-2-3-9-18(17)16-19)25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h2-16,24-25H,1H3,(H,29,30)/t24-/m0/s1.
What are the key properties of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid?
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid has a molecular weight of 423.47 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 99909243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).