(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

C21H23NO4 — CID 2761560

IUPAC(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c1-13(2)19(11-20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyKFDMTAMWOIQTOB-LJQANCHMSA-N
MW353.42 g/mol
LogP4.02
Rot. Bonds6

About (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid (PubChem CID 2761560) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
PubChem CID2761560
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c1-13(2)19(11-20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyKFDMTAMWOIQTOB-LJQANCHMSA-N
XLogP4.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
CID 100115
FMOC-L-valine
CID 688217
N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine
CID 6364642
Fmoc-Lys(Boc)-OH
CID 2724628
N-(9H-(2,7-Dimethylfluoren-9-ylmethoxy)carbonyl)leucine
CID 119365
(2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid
CID 978332
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylbutanoic acid
CID 3296415
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The IUPAC name of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid (CID 2761560) is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The canonical SMILES for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid is CC(C)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The InChIKey is KFDMTAMWOIQTOB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(2)19(11-20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1.
What are the key properties of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid?
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid has a molecular weight of 353.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 2761560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).