2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid

C23H20N2O5 — CID 121493856

IUPAC2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cc(C(=O)OCC2c3ccccc3-c3ccccc32)c(N)c(=O)n1CC(=O)O
InChIInChI=1S/C23H20N2O5/c1-13-10-18(21(24)22(28)25(13)11-20(26)27)23(29)30-12-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-10,19H,11-12,24H2,1H3,(H,26,27)
InChIKeyMQOLIACKAFOVRQ-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.79
Rot. Bonds5

About 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid

2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid (PubChem CID 121493856) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid
PubChem CID121493856
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cc(C(=O)OCC2c3ccccc3-c3ccccc32)c(N)c(=O)n1CC(=O)O
InChIInChI=1S/C23H20N2O5/c1-13-10-18(21(24)22(28)25(13)11-20(26)27)23(29)30-12-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-10,19H,11-12,24H2,1H3,(H,26,27)
InChIKeyMQOLIACKAFOVRQ-UHFFFAOYSA-N
XLogP2.79
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-5-iodobenzoic acid
CID 56923965
2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
CID 56923983
2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid
CID 54733655
2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid
CID 56923969
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate
CID 175706774
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid
CID 17040176
6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid
CID 141092800
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid (CID 121493856) is 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid is Cc1cc(C(=O)OCC2c3ccccc3-c3ccccc32)c(N)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is MQOLIACKAFOVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-13-10-18(21(24)22(28)25(13)11-20(26)27)23(29)30-12-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-10,19H,11-12,24H2,1H3,(H,26,27).
What are the key properties of 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid?
2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 404.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 121493856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).