(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid

C27H21NO4 — CID 51441106

IUPAC(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1cccc2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H21NO4/c29-26(30)25(23-15-7-9-17-8-1-2-10-18(17)23)28-27(31)32-16-24-21-13-5-3-11-19(21)20-12-4-6-14-22(20)24/h1-15,24-25H,16H2,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKeySCQIIBIYCFZYJE-VWLOTQADSA-N
MW423.47 g/mol
LogP5.50
Rot. Bonds5

About (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid (PubChem CID 51441106) has the molecular formula C27H21NO4 and a molecular weight of 423.47 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
PubChem CID51441106
Molecular FormulaC27H21NO4
Molecular Weight423.47 g/mol
Exact Mass423.15
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1cccc2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H21NO4/c29-26(30)25(23-15-7-9-17-8-1-2-10-18(17)23)28-27(31)32-16-24-21-13-5-3-11-19(21)20-12-4-6-14-22(20)24/h1-15,24-25H,16H2,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKeySCQIIBIYCFZYJE-VWLOTQADSA-N
XLogP5.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663760
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid
CID 172569446
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
(2R)-2-(1-benzofuran-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 167995343
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
2-(5-bromo-2-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165441428
2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663924
(2R)-2-[(S)-amino(naphthalen-1-yl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57376502
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid
CID 5047789
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
2-[3-(difluoromethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103841374
2-(5-bromo-2-methylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165441004

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid?
The IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid (CID 51441106) is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid.
What is the SMILES notation for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid?
The canonical SMILES for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid is O=C(N[C@H](C(=O)O)c1cccc2ccccc12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid?
The InChIKey is SCQIIBIYCFZYJE-VWLOTQADSA-N. The full InChI is InChI=1S/C27H21NO4/c29-26(30)25(23-15-7-9-17-8-1-2-10-18(17)23)28-27(31)32-16-24-21-13-5-3-11-19(21)20-12-4-6-14-22(20)24/h1-15,24-25H,16H2,(H,28,31)(H,29,30)/t25-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid?
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid has a molecular weight of 423.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 51441106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).