5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid

C27H34N2O6 — CID 165467127

IUPAC5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid
SMILESCCC(COC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C27H34N2O6/c1-4-27(17-34-3,25(32)28-15-18(2)13-14-24(30)31)29-26(33)35-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23H,4,13-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyGKOYVLCDDMIAGF-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.94
Rot. Bonds12

About 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid

5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid (PubChem CID 165467127) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid
PubChem CID165467127
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid
SMILESCCC(COC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C27H34N2O6/c1-4-27(17-34-3,25(32)28-15-18(2)13-14-24(30)31)29-26(33)35-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23H,4,13-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyGKOYVLCDDMIAGF-UHFFFAOYSA-N
XLogP3.94
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid
CID 165485685
5-[[(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 165447210
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(1-methoxyethoxy)ethoxy]-5-oxopentanoic acid
CID 67935182
2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 103663910
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
4-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoylamino]-3-methylbutanoic acid
CID 165487817
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
9H-fluoren-9-ylmethyl N-(1-fluoro-2-methyl-1-oxobutan-2-yl)carbamate
CID 10315254
(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
CID 155270949
(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid
CID 75493019
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid (CID 165467127) is 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid is CCC(COC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid?
The InChIKey is GKOYVLCDDMIAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-4-27(17-34-3,25(32)28-15-18(2)13-14-24(30)31)29-26(33)35-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23H,4,13-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid?
5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid has a molecular weight of 482.58 g/mol, XLogP of 3.94, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 165467127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).