2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid

C25H20N2O5 — CID 4839560

IUPAC2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C25H20N2O5/c28-21(29)14-26-25(32)20(13-15-7-2-1-3-8-15)27-24(31)19-12-6-11-18-22(19)16-9-4-5-10-17(16)23(18)30/h1-12,20H,13-14H2,(H,26,32)(H,27,31)(H,28,29)
InChIKeyPNGVZRNHKAANBJ-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.44
Rot. Bonds7

About 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid

2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid (PubChem CID 4839560) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
PubChem CID4839560
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C25H20N2O5/c28-21(29)14-26-25(32)20(13-15-7-2-1-3-8-15)27-24(31)19-12-6-11-18-22(19)16-9-4-5-10-17(16)23(18)30/h1-12,20H,13-14H2,(H,26,32)(H,27,31)(H,28,29)
InChIKeyPNGVZRNHKAANBJ-UHFFFAOYSA-N
XLogP2.44
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
CID 4908821
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 6992441
N-[(2S)-1-[[4-[[[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-phenylpropanoyl]amino]methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroxybenzamide
CID 11600105
2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 71463173
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 10268658
2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 18220005
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetic acid
CID 7014899
3-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18237804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid (CID 4839560) is 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid is O=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The InChIKey is PNGVZRNHKAANBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c28-21(29)14-26-25(32)20(13-15-7-2-1-3-8-15)27-24(31)19-12-6-11-18-22(19)16-9-4-5-10-17(16)23(18)30/h1-12,20H,13-14H2,(H,26,32)(H,27,31)(H,28,29).
What are the key properties of 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid has a molecular weight of 428.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid is sourced from PubChem (CID 4839560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).