2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

C23H27NO4 — CID 103663910

IUPAC2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESCCCCC(CC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H27NO4/c1-3-5-14-23(4-2,21(25)26)24-22(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyIJJMKOWAFBVRRR-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.95
Rot. Bonds8

About 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (PubChem CID 103663910) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
PubChem CID103663910
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESCCCCC(CC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C23H27NO4/c1-3-5-14-23(4-2,21(25)26)24-22(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyIJJMKOWAFBVRRR-UHFFFAOYSA-N
XLogP4.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butoxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 87697648
2-but-3-enyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
CID 86280418
ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoate
CID 68667175
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid
CID 139986097
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
9H-fluoren-9-ylmethyl N-(1-fluoro-2-methyl-1-oxobutan-2-yl)carbamate
CID 10315254
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
CID 155270949
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
CID 53395080
2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid
CID 165485685

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The IUPAC name of 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (CID 103663910) is 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is CCCCC(CC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The InChIKey is IJJMKOWAFBVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-3-5-14-23(4-2,21(25)26)24-22(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid has a molecular weight of 381.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 103663910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).