5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid

C24H26N2O6 — CID 174959823

IUPAC5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid
SMILESC=CCOC(=O)N(C(=O)OCc1cccc2c1Cc1ccccc1-2)C(CCCN)C(=O)O
InChIInChI=1S/C24H26N2O6/c1-2-13-31-23(29)26(21(22(27)28)11-6-12-25)24(30)32-15-17-8-5-10-19-18-9-4-3-7-16(18)14-20(17)19/h2-5,7-10,21H,1,6,11-15,25H2,(H,27,28)
InChIKeyHTXMXCQIDWOTQD-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.71
Rot. Bonds9

About 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid

5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid (PubChem CID 174959823) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid
PubChem CID174959823
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid
SMILESC=CCOC(=O)N(C(=O)OCc1cccc2c1Cc1ccccc1-2)C(CCCN)C(=O)O
InChIInChI=1S/C24H26N2O6/c1-2-13-31-23(29)26(21(22(27)28)11-6-12-25)24(30)32-15-17-8-5-10-19-18-9-4-3-7-16(18)14-20(17)19/h2-5,7-10,21H,1,6,11-15,25H2,(H,27,28)
InChIKeyHTXMXCQIDWOTQD-UHFFFAOYSA-N
XLogP3.71
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[amino(9H-fluoren-1-ylmethoxycarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 175280707
2,6-diaminohexanoic acid;9H-fluoren-1-ylmethyl carbonochloridate
CID 175563676
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 174881683
9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-(9H-fluoren-1-ylmethoxycarbonyl)carbamate;hydrochloride
CID 175810775
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
(2S)-5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]-5-oxopentanoic acid
CID 56975817
2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid
CID 174973010
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid?
The IUPAC name of 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid (CID 174959823) is 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid is C=CCOC(=O)N(C(=O)OCc1cccc2c1Cc1ccccc1-2)C(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid?
The InChIKey is HTXMXCQIDWOTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-2-13-31-23(29)26(21(22(27)28)11-6-12-25)24(30)32-15-17-8-5-10-19-18-9-4-3-7-16(18)14-20(17)19/h2-5,7-10,21H,1,6,11-15,25H2,(H,27,28).
What are the key properties of 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid?
5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid has a molecular weight of 438.48 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid is sourced from PubChem (CID 174959823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).