4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid

C20H21NO5 — CID 22629894

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
SMILESO=C(O)CCC(CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO5/c22-11-13(9-10-19(23)24)21-20(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,22H,9-12H2,(H,21,25)(H,23,24)
InChIKeyGVLNDPSWRFKZHT-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.75
Rot. Bonds7

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid (PubChem CID 22629894) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
PubChem CID22629894
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
SMILESO=C(O)CCC(CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO5/c22-11-13(9-10-19(23)24)21-20(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,22H,9-12H2,(H,21,25)(H,23,24)
InChIKeyGVLNDPSWRFKZHT-UHFFFAOYSA-N
XLogP2.75
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 59837877
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-4-phenylbutan-2-yl]carbamate
CID 155904032
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
CID 7010013
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
9H-fluoren-9-ylmethyl N-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51340618
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
5-(4-bromo-3-methylphenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 103714200
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid
CID 103695951
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 2761612
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(1H-indol-3-yl)pentanoic acid
CID 2756075
5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 107125496

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid (CID 22629894) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid is O=C(O)CCC(CO)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid?
The InChIKey is GVLNDPSWRFKZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-11-13(9-10-19(23)24)21-20(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,22H,9-12H2,(H,21,25)(H,23,24).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid has a molecular weight of 355.39 g/mol, XLogP of 2.75, 7 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)-5-hydroxypentanoic acid is sourced from PubChem (CID 22629894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).