2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

C25H24N4O7 — CID 118691660

IUPAC2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C1c2cc(NC(=O)C3CCCN3C(=O)O)ccc2-c2ccc(NC(=O)C3CCCN3C(=O)O)cc21
InChIInChI=1S/C25H24N4O7/c30-21-17-11-13(26-22(31)19-3-1-9-28(19)24(33)34)5-7-15(17)16-8-6-14(12-18(16)21)27-23(32)20-4-2-10-29(20)25(35)36/h5-8,11-12,19-20H,1-4,9-10H2,(H,26,31)(H,27,32)(H,33,34)(H,35,36)
InChIKeyHVXPPXJAUFEFCR-UHFFFAOYSA-N
MW492.49 g/mol
LogP3.06
Rot. Bonds4

About 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 118691660) has the molecular formula C25H24N4O7 and a molecular weight of 492.49 g/mol. Its IUPAC name is 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID118691660
Molecular FormulaC25H24N4O7
Molecular Weight492.49 g/mol
Exact Mass492.16
IUPAC Name2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C1c2cc(NC(=O)C3CCCN3C(=O)O)ccc2-c2ccc(NC(=O)C3CCCN3C(=O)O)cc21
InChIInChI=1S/C25H24N4O7/c30-21-17-11-13(26-22(31)19-3-1-9-28(19)24(33)34)5-7-15(17)16-8-6-14(12-18(16)21)27-23(32)20-4-2-10-29(20)25(35)36/h5-8,11-12,19-20H,1-4,9-10H2,(H,26,31)(H,27,32)(H,33,34)(H,35,36)
InChIKeyHVXPPXJAUFEFCR-UHFFFAOYSA-N
XLogP3.06
TPSA156.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
(2S)-2-[[4-(1,3-dithiolan-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 174166269
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
(2S)-2-[[4-[2-[4-(cyclobutanecarbonylamino)phenyl]ethynyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 129159208
(2S)-2-[(2-amino-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 87939442
2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 22181596
(2S)-1-(adamantane-1-carbonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
CID 31508787
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
tert-butyl (2S)-2-[[3-methyl-4-[2-methyl-4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 118691654
1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide
CID 86872705
6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid
CID 20503430

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 118691660) is 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is O=C1c2cc(NC(=O)C3CCCN3C(=O)O)ccc2-c2ccc(NC(=O)C3CCCN3C(=O)O)cc21.
What is the InChIKey of 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is HVXPPXJAUFEFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O7/c30-21-17-11-13(26-22(31)19-3-1-9-28(19)24(33)34)5-7-15(17)16-8-6-14(12-18(16)21)27-23(32)20-4-2-10-29(20)25(35)36/h5-8,11-12,19-20H,1-4,9-10H2,(H,26,31)(H,27,32)(H,33,34)(H,35,36).
What are the key properties of 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 492.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118691660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).