2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C24H28N2O6 — CID 10478413

IUPAC2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26(14-21(27)28)13-12-25-22(29)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyXSJLVJKSNJBYAP-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 10478413) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID10478413
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26(14-21(27)28)13-12-25-22(29)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyXSJLVJKSNJBYAP-UHFFFAOYSA-N
XLogP3.85
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630
Fmoc-Gly-OH
CID 93124
Fmoc-Val-Phe-ol
CID 42632251
Fmoc-Val-D-Phe-ol
CID 42632372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 10478413) is 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O.
What is the InChIKey of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is XSJLVJKSNJBYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26(14-21(27)28)13-12-25-22(29)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28).
What are the key properties of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 440.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 10478413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).