tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate

C31H34N2O5 — CID 15450756

IUPACtert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cc1ccccc1
InChIInChI=1S/C31H34N2O5/c1-31(2,3)38-29(35)20-33(28(34)19-22-11-5-4-6-12-22)18-17-32-30(36)37-21-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27/h4-16,27H,17-21H2,1-3H3,(H,32,36)
InChIKeyMKIWZNKOENPLJC-UHFFFAOYSA-N
MW514.62 g/mol
LogP4.94
Rot. Bonds9

About tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate

tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate (PubChem CID 15450756) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate
PubChem CID15450756
Molecular FormulaC31H34N2O5
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC Nametert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cc1ccccc1
InChIInChI=1S/C31H34N2O5/c1-31(2,3)38-29(35)20-33(28(34)19-22-11-5-4-6-12-22)18-17-32-30(36)37-21-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27/h4-16,27H,17-21H2,1-3H3,(H,32,36)
InChIKeyMKIWZNKOENPLJC-UHFFFAOYSA-N
XLogP4.94
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate 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

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]acetic acid
CID 118650117
2-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 177475678
2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethylcarbamic acid
CID 170354070
prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]acetyl]amino]ethyl]amino]acetate
CID 101062682
tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate
CID 101025397
tert-butyl N-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethyl]carbamate
CID 59809078
ethyl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetate
CID 155933484
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-(tritylamino)acetyl]amino]acetic acid
CID 58612576
benzyl N-(2-aminoethyl)-N-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]carbamate
CID 170591204
tert-butyl N-[[4-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylamino]propyl]phenyl]methyl]carbamate
CID 59988350
tert-butyl 2-[[2-[2-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethylamino]-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetate
CID 118066461
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 97047006

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate?
The IUPAC name of tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate (CID 15450756) is tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate is CC(C)(C)OC(=O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate?
The InChIKey is MKIWZNKOENPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O5/c1-31(2,3)38-29(35)20-33(28(34)19-22-11-5-4-6-12-22)18-17-32-30(36)37-21-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27/h4-16,27H,17-21H2,1-3H3,(H,32,36).
What are the key properties of tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate?
tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate has a molecular weight of 514.62 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 15450756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).