2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid

C21H17NO5 — CID 5047789

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccco1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO5/c23-20(24)19(18-10-5-11-26-18)22-21(25)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17,19H,12H2,(H,22,25)(H,23,24)
InChIKeyPCBMJTLDLJORMH-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.94
Rot. Bonds5

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid (PubChem CID 5047789) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid
PubChem CID5047789
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccco1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO5/c23-20(24)19(18-10-5-11-26-18)22-21(25)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17,19H,12H2,(H,22,25)(H,23,24)
InChIKeyPCBMJTLDLJORMH-UHFFFAOYSA-N
XLogP3.94
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
CID 51441106
2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663760
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(4,5-dibromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 102841127
2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 167727046
2-[3-(difluoromethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103841374
(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate
CID 75488005

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid (CID 5047789) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid is O=C(NC(C(=O)O)c1ccco1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid?
The InChIKey is PCBMJTLDLJORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c23-20(24)19(18-10-5-11-26-18)22-21(25)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17,19H,12H2,(H,22,25)(H,23,24).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid has a molecular weight of 363.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid is sourced from PubChem (CID 5047789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).