(2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C24H19N5O6 — CID 101196616

IUPAC(2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cn1c(=O)[nH]c(=O)c2nccnc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19N5O6/c30-21-19-20(26-10-9-25-19)29(23(33)28-21)11-18(22(31)32)27-24(34)35-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17-18H,11-12H2,(H,27,34)(H,31,32)(H,28,30,33)/t18-/m1/s1
InChIKeyMUYDPYXNGWEYAI-GOSISDBHSA-N
MW473.45 g/mol
LogP1.47
Rot. Bonds6

About (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

(2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 101196616) has the molecular formula C24H19N5O6 and a molecular weight of 473.45 g/mol. Its IUPAC name is (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID101196616
Molecular FormulaC24H19N5O6
Molecular Weight473.45 g/mol
Exact Mass473.13
IUPAC Name(2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cn1c(=O)[nH]c(=O)c2nccnc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19N5O6/c30-21-19-20(26-10-9-25-19)29(23(33)28-21)11-18(22(31)32)27-24(34)35-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17-18H,11-12H2,(H,27,34)(H,31,32)(H,28,30,33)/t18-/m1/s1
InChIKeyMUYDPYXNGWEYAI-GOSISDBHSA-N
XLogP1.47
TPSA156.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid
CID 91872875
3-(3-tert-butyl-1,2,4-triazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 165497144
3-(benzimidazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 165479487
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-8-ylpropanoic acid
CID 139209026
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitroimidazol-1-yl)propanoic acid
CID 146013808
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
CID 175987234
(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
CID 57135941

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 101196616) is (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(N[C@H](Cn1c(=O)[nH]c(=O)c2nccnc21)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is MUYDPYXNGWEYAI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H19N5O6/c30-21-19-20(26-10-9-25-19)29(23(33)28-21)11-18(22(31)32)27-24(34)35-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17-18H,11-12H2,(H,27,34)(H,31,32)(H,28,30,33)/t18-/m1/s1.
What are the key properties of (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
(2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 473.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 101196616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).