2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid

C28H36N2O5 — CID 165480760

IUPAC2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid
SMILESCCC(NC(=O)CCC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)O
InChIInChI=1S/C28H36N2O5/c1-4-25(27(32)33)30-26(31)14-13-19(18(2)3)15-16-29-28(34)35-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,18-19,24-25H,4,13-17H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)
InChIKeyFFCFQQJYJVOSJE-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.95
Rot. Bonds12

About 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid

2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid (PubChem CID 165480760) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid
PubChem CID165480760
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid
SMILESCCC(NC(=O)CCC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)O
InChIInChI=1S/C28H36N2O5/c1-4-25(27(32)33)30-26(31)14-13-19(18(2)3)15-16-29-28(34)35-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,18-19,24-25H,4,13-17H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)
InChIKeyFFCFQQJYJVOSJE-UHFFFAOYSA-N
XLogP4.95
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(pentadecanoylamino)butanoic acid
CID 169217785
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-methylsulfanylbutanoic acid
CID 155892361
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539
3-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]methyl]-4-methylpentanoic acid
CID 165456414
4-[[1-(ethylamino)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
CID 166964497
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
CID 165479235
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine
CID 91143180
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]hexanoic acid
CID 164586477
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-(4-oxohexan-3-yl)carbamate;methanamine
CID 160943823
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(hexadecanoylamino)butanoic acid
CID 138110096
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid?
The IUPAC name of 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid (CID 165480760) is 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid?
The canonical SMILES for 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid is CCC(NC(=O)CCC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)O.
What is the InChIKey of 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid?
The InChIKey is FFCFQQJYJVOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-4-25(27(32)33)30-26(31)14-13-19(18(2)3)15-16-29-28(34)35-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,18-19,24-25H,4,13-17H2,1-3H3,(H,29,34)(H,30,31)(H,32,33).
What are the key properties of 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid?
2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid has a molecular weight of 480.61 g/mol, XLogP of 4.95, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-5-methylhexanoyl]amino]butanoic acid is sourced from PubChem (CID 165480760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).