(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid

C25H30N2O5 — CID 165466286

IUPAC(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
SMILESCCC(CC(=O)N[C@H](CC)CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30N2O5/c1-3-16(13-23(28)26-17(4-2)14-24(29)30)27-25(31)32-15-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,16-17,22H,3-4,13-15H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)/t16?,17-/m1/s1
InChIKeyQBLNCIYXTTTYAZ-ZYMOGRSISA-N
MW438.52 g/mol
LogP4.06
Rot. Bonds10

About (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid

(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid (PubChem CID 165466286) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid.

Molecular Properties

Compound Name(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
PubChem CID165466286
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
SMILESCCC(CC(=O)N[C@H](CC)CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30N2O5/c1-3-16(13-23(28)26-17(4-2)14-24(29)30)27-25(31)32-15-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,16-17,22H,3-4,13-15H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)/t16?,17-/m1/s1
InChIKeyQBLNCIYXTTTYAZ-ZYMOGRSISA-N
XLogP4.06
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid with MolForge

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Related Compounds

(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid
CID 165499514
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]-4-methylpentanoic acid
CID 165456603
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
cis-(1R,3S)-3-[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 178192418
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethylhexanoic acid
CID 163358524
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
cis-(1R,2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]cycloheptane-1-carboxylic acid
CID 178195852
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
CID 7010013
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 2761612
4-(2-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 53398025
(2R,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]methyl]oxolane-2-carboxylic acid
CID 178191344

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid?
The IUPAC name of (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid (CID 165466286) is (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid.
What is the SMILES notation for (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid?
The canonical SMILES for (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid is CCC(CC(=O)N[C@H](CC)CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid?
The InChIKey is QBLNCIYXTTTYAZ-ZYMOGRSISA-N. The full InChI is InChI=1S/C25H30N2O5/c1-3-16(13-23(28)26-17(4-2)14-24(29)30)27-25(31)32-15-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,16-17,22H,3-4,13-15H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)/t16?,17-/m1/s1.
What are the key properties of (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid?
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid has a molecular weight of 438.52 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid is sourced from PubChem (CID 165466286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).