tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate

C23H29NO5 — CID 166795751

IUPACtert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
SMILESCC(C)(C)OC(=O)[C@H](CCO)NC(=O)OCC1C2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C23H29NO5/c1-23(2,3)29-21(26)20(12-13-25)24-22(27)28-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4,6-8,10-11,19-20,25H,5,9,12-14H2,1-3H3,(H,24,27)/t19?,20-/m0/s1
InChIKeyASQABWNLUJOMDD-ANYOKISRSA-N
MW399.49 g/mol
LogP3.71
Rot. Bonds6

About tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate

tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate (PubChem CID 166795751) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
PubChem CID166795751
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Nametert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
SMILESCC(C)(C)OC(=O)[C@H](CCO)NC(=O)OCC1C2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C23H29NO5/c1-23(2,3)29-21(26)20(12-13-25)24-22(27)28-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4,6-8,10-11,19-20,25H,5,9,12-14H2,1-3H3,(H,24,27)/t19?,20-/m0/s1
InChIKeyASQABWNLUJOMDD-ANYOKISRSA-N
XLogP3.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-4-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 172529273
(2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoic acid
CID 163597878
tert-butyl 3-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 85305821
(2R,7R)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid
CID 10698505
tert-butyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-ynoate
CID 72767459
tert-butyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-3-ylbutanoate
CID 155695557
tert-butyl (2S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 171576000
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(propan-2-ylamino)butanoate
CID 54771632
tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-propylsulfanylpropanoate
CID 123300059
1-O-tert-butyl 5-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 170129960
tert-butyl (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 171782409
cyclohexa-2,4-dien-1-ylmethyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 163769957

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate?
The IUPAC name of tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate (CID 166795751) is tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate.
What is the SMILES notation for tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate?
The canonical SMILES for tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate is CC(C)(C)OC(=O)[C@H](CCO)NC(=O)OCC1C2=C(CCC=C2)c2ccccc21.
What is the InChIKey of tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate?
The InChIKey is ASQABWNLUJOMDD-ANYOKISRSA-N. The full InChI is InChI=1S/C23H29NO5/c1-23(2,3)29-21(26)20(12-13-25)24-22(27)28-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4,6-8,10-11,19-20,25H,5,9,12-14H2,1-3H3,(H,24,27)/t19?,20-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate?
tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate has a molecular weight of 399.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(4,9-dihydro-3H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate is sourced from PubChem (CID 166795751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).