(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid

C22H23NO4 — CID 69233050

IUPAC(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1
InChIInChI=1S/C22H23NO4/c1-14(21(24)25)23(15-7-6-8-15)22(26)27-13-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-5,9-12,14-15,20H,6-8,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeySCXSWEHOLKBPGJ-AWEZNQCLSA-N
MW365.43 g/mol
LogP4.26
Rot. Bonds5

About (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid

(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid (PubChem CID 69233050) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
PubChem CID69233050
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1
InChIInChI=1S/C22H23NO4/c1-14(21(24)25)23(15-7-6-8-15)22(26)27-13-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-5,9-12,14-15,20H,6-8,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeySCXSWEHOLKBPGJ-AWEZNQCLSA-N
XLogP4.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]propanoic acid
CID 165466336
2-[dicyclopropylmethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 102482416
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 57345952
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(2,6-dimethylphenyl)acetic acid
CID 103857654
2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
CID 155888114
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
(2S)-2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 101472073
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid
CID 175834362

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid (CID 69233050) is (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid is C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1.
What is the InChIKey of (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
The InChIKey is SCXSWEHOLKBPGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14(21(24)25)23(15-7-6-8-15)22(26)27-13-20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-5,9-12,14-15,20H,6-8,13H2,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid has a molecular weight of 365.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid is sourced from PubChem (CID 69233050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).