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

C26H31NO5 — CID 4712576

IUPAC5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)C(CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H31NO5/c28-24(15-25(29)30)23(14-17-8-2-1-3-9-17)27-26(31)32-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-24,28H,1-3,8-9,14-16H2,(H,27,31)(H,29,30)
InChIKeyNTQQMWZNOTYXHU-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.70
Rot. Bonds8

About 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid

5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid (PubChem CID 4712576) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
PubChem CID4712576
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)C(CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H31NO5/c28-24(15-25(29)30)23(14-17-8-2-1-3-9-17)27-26(31)32-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-24,28H,1-3,8-9,14-16H2,(H,27,31)(H,29,30)
InChIKeyNTQQMWZNOTYXHU-UHFFFAOYSA-N
XLogP4.70
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
(3R)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 7176369
acetic acid;3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131675536
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylsulfanylhexanoic acid
CID 4712557
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
CID 4712559
4-[[(1R)-1-cycloheptylethyl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CID 165482390
9H-fluoren-9-ylmethyl N-[(2S)-3-cyclohexyl-1-[[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 10842200
(3S,5S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylheptanoic acid
CID 170895498
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
cyclopentyl (2R)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 122539263
(2S)-3-(1-deuteriocyclohexyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 140883550

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
The IUPAC name of 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid (CID 4712576) is 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid is O=C(O)CC(O)C(CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
The InChIKey is NTQQMWZNOTYXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c28-24(15-25(29)30)23(14-17-8-2-1-3-9-17)27-26(31)32-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-24,28H,1-3,8-9,14-16H2,(H,27,31)(H,29,30).
What are the key properties of 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid?
5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid has a molecular weight of 437.54 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid is sourced from PubChem (CID 4712576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).