2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid

C27H34N2O5 — CID 165496711

IUPAC2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CC(C)(C)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C27H34N2O5/c1-4-9-18(25(31)32)15-28-24(30)14-27(2,3)17-29-26(33)34-16-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h5-8,10-13,18,23H,4,9,14-17H2,1-3H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyITARXVKYAWKKQJ-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.56
Rot. Bonds11

About 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid

2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid (PubChem CID 165496711) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid
PubChem CID165496711
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CC(C)(C)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C27H34N2O5/c1-4-9-18(25(31)32)15-28-24(30)14-27(2,3)17-29-26(33)34-16-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h5-8,10-13,18,23H,4,9,14-17H2,1-3H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyITARXVKYAWKKQJ-UHFFFAOYSA-N
XLogP4.56
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 178192505
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 97047006
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid
CID 178201093
cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178199085
2-[[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]methyl]pentanoic acid
CID 178194096
4-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoylamino]-3-methylbutanoic acid
CID 165487817
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
CID 178193969
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-oxo-4-(tritylamino)butanoic acid
CID 23231891
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-methoxyphenyl)propanoic acid
CID 7014947

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid (CID 165496711) is 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)CC(C)(C)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid?
The InChIKey is ITARXVKYAWKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-4-9-18(25(31)32)15-28-24(30)14-27(2,3)17-29-26(33)34-16-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h5-8,10-13,18,23H,4,9,14-17H2,1-3H3,(H,28,30)(H,29,33)(H,31,32).
What are the key properties of 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid?
2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid has a molecular weight of 466.58 g/mol, XLogP of 4.56, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 165496711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).