1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate

C28H26N2O5 — CID 69118085

IUPAC1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate
SMILESCC(Cc1ccccc1)OC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C28H26N2O5/c1-17(15-18-7-3-2-4-8-18)35-28(34)24(13-14-25(29)31)30-27(33)19-11-12-21-20-9-5-6-10-22(20)26(32)23(21)16-19/h2-12,16-17,24H,13-15H2,1H3,(H2,29,31)(H,30,33)/t17?,24-/m0/s1
InChIKeyWBVZNCUHQJDSBC-UCSBTNPJSA-N
MW470.53 g/mol
LogP3.44
Rot. Bonds9

About 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate

1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate (PubChem CID 69118085) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Name1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate
PubChem CID69118085
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate
SMILESCC(Cc1ccccc1)OC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C28H26N2O5/c1-17(15-18-7-3-2-4-8-18)35-28(34)24(13-14-25(29)31)30-27(33)19-11-12-21-20-9-5-6-10-22(20)26(32)23(21)16-19/h2-12,16-17,24H,13-15H2,1H3,(H2,29,31)(H,30,33)/t17?,24-/m0/s1
InChIKeyWBVZNCUHQJDSBC-UCSBTNPJSA-N
XLogP3.44
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate with MolForge

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Launch Full Analysis

Related Compounds

N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide
CID 10180901
(4S)-5-(hexylamino)-5-oxo-4-[(9-oxofluorene-2-carbonyl)amino]pentanoic acid
CID 68703753
(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 107829854
(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055
methyl (2S)-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-phenylpropanoate
CID 38032325
benzyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 14420417
5-amino-2-[[3-(aminomethyl)benzoyl]amino]-5-oxopentanoic acid
CID 82546355
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
(2S)-N-[(2S,3S)-3-azido-4-[2-(tert-butylcarbamoyl)phenoxy]-1-phenylbutan-2-yl]-2-[(9,10-dioxoanthracene-2-carbonyl)amino]butanediamide
CID 10372754
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
2-[[5-amino-2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
CID 22704961
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate?
The IUPAC name of 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate (CID 69118085) is 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate.
What is the SMILES notation for 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate?
The canonical SMILES for 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate is CC(Cc1ccccc1)OC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate?
The InChIKey is WBVZNCUHQJDSBC-UCSBTNPJSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-17(15-18-7-3-2-4-8-18)35-28(34)24(13-14-25(29)31)30-27(33)19-11-12-21-20-9-5-6-10-22(20)26(32)23(21)16-19/h2-12,16-17,24H,13-15H2,1H3,(H2,29,31)(H,30,33)/t17?,24-/m0/s1.
What are the key properties of 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate?
1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate has a molecular weight of 470.53 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 69118085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).