(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid

C28H23NO4 — CID 94011410

IUPAC(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid
SMILESO=C(NC[C@H](C(=O)O)c1ccc2ccccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23NO4/c30-27(31)25(20-14-13-18-7-1-2-8-19(18)15-20)16-29-28(32)33-17-26-23-11-5-3-9-21(23)22-10-4-6-12-24(22)26/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t25-/m0/s1
InChIKeyIVJNXALXMHWGMW-VWLOTQADSA-N
MW437.50 g/mol
LogP5.55
Rot. Bonds6

About (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid

(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid (PubChem CID 94011410) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid
PubChem CID94011410
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid
SMILESO=C(NC[C@H](C(=O)O)c1ccc2ccccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23NO4/c30-27(31)25(20-14-13-18-7-1-2-8-19(18)15-20)16-29-28(32)33-17-26-23-11-5-3-9-21(23)22-10-4-6-12-24(22)26/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t25-/m0/s1
InChIKeyIVJNXALXMHWGMW-VWLOTQADSA-N
XLogP5.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 91810266
(2S)-2-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 91810276
2-(3,4-dimethoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170895527
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 53398472
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 42550507
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-hydroxynaphthalen-2-yl)propyl]carbamate
CID 170834917
(2S)-2-[amino(naphthalen-2-yl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57367757
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid
CID 74324932
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid (CID 94011410) is (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid is O=C(NC[C@H](C(=O)O)c1ccc2ccccc2c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid?
The InChIKey is IVJNXALXMHWGMW-VWLOTQADSA-N. The full InChI is InChI=1S/C28H23NO4/c30-27(31)25(20-14-13-18-7-1-2-8-19(18)15-20)16-29-28(32)33-17-26-23-11-5-3-9-21(23)22-10-4-6-12-24(22)26/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t25-/m0/s1.
What are the key properties of (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid?
(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid has a molecular weight of 437.50 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 94011410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).