4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid

C20H21NO5 — CID 4712559

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)CC(=O)O
InChIInChI=1S/C20H21NO5/c1-12(18(22)10-19(23)24)21-20(25)26-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,22H,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyIQAJGZRUBDBAEP-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.75
Rot. Bonds6

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid (PubChem CID 4712559) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
PubChem CID4712559
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)CC(=O)O
InChIInChI=1S/C20H21NO5/c1-12(18(22)10-19(23)24)21-20(25)26-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,22H,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyIQAJGZRUBDBAEP-UHFFFAOYSA-N
XLogP2.75
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylheptanoic acid
CID 170895498
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylsulfanylhexanoic acid
CID 4712557
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate
CID 106156061
methyl (3R)-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 59323923
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
methyl 2-(chloroamino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 91501008

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid (CID 4712559) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid is CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)CC(=O)O.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
The InChIKey is IQAJGZRUBDBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12(18(22)10-19(23)24)21-20(25)26-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,22H,10-11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid has a molecular weight of 355.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid is sourced from PubChem (CID 4712559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).