2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid

C27H26N2O5 — CID 165479235

IUPAC2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
SMILESCCC(NC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(=O)O
InChIInChI=1S/C27H26N2O5/c1-2-23(26(31)32)28-25(30)24(17-10-4-3-5-11-17)29-27(33)34-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22-24H,2,16H2,1H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyYVOXTSRPUHHPIS-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.25
Rot. Bonds8

About 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid

2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid (PubChem CID 165479235) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
PubChem CID165479235
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
SMILESCCC(NC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(=O)O
InChIInChI=1S/C27H26N2O5/c1-2-23(26(31)32)28-25(30)24(17-10-4-3-5-11-17)29-27(33)34-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22-24H,2,16H2,1H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyYVOXTSRPUHHPIS-UHFFFAOYSA-N
XLogP4.25
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-3-methoxypropanoic acid
CID 165448330
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine
CID 91143180
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-(4-oxohexan-3-yl)carbamate;methanamine
CID 160943823
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-4-hydroxybutanoic acid
CID 165483755
(2S)-5-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
CID 171702819
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylselanylpropanoic acid
CID 122173660
azane;deuterio(iodo)methane;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-1-amino-1-oxobutan-2-yl]carbamate;hydrate
CID 158182567
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
ethane;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxobutan-2-yl]carbamate;oxolane
CID 159284718
(2S)-3-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 18397404

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid (CID 165479235) is 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid is CCC(NC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid?
The InChIKey is YVOXTSRPUHHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-2-23(26(31)32)28-25(30)24(17-10-4-3-5-11-17)29-27(33)34-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22-24H,2,16H2,1H3,(H,28,30)(H,29,33)(H,31,32).
What are the key properties of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid?
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid has a molecular weight of 458.51 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid is sourced from PubChem (CID 165479235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).