tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate

C22H30N2O2 — CID 11772629

IUPACtert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate
SMILESCC(C)(C)OC(=O)[C@H](CCCN)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)26-21(25)19(15-10-16-23)24-20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19-20,24H,10,15-16,23H2,1-3H3/t19-/m0/s1
InChIKeyVZXZXDHKOBFEBY-IBGZPJMESA-N
MW354.49 g/mol
LogP3.81
Rot. Bonds8

About tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate

tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate (PubChem CID 11772629) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate
PubChem CID11772629
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Nametert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate
SMILESCC(C)(C)OC(=O)[C@H](CCCN)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)26-21(25)19(15-10-16-23)24-20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19-20,24H,10,15-16,23H2,1-3H3/t19-/m0/s1
InChIKeyVZXZXDHKOBFEBY-IBGZPJMESA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate 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

tert-butyl (2S)-6-amino-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoate
CID 138375877
tert-butyl 6-amino-2-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
CID 67690188
(2S)-2-(benzhydrylamino)-5,5-dimethylhexanoic acid
CID 167496389
(2S)-5-amino-2-(1-phenylethylamino)pentanamide
CID 141009409
tert-butyl (2S)-6-amino-2-(naphthalene-1-carbonylamino)hexanoate
CID 102277216
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
tert-butyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 18185129
tert-butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 166781222
tert-butyl 2-(benzylamino)decanoate
CID 162010682
ditert-butyl (2S)-2-[[[[(2S)-6-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]amino]-hydroxymethyl]amino]pentanedioate
CID 144538646
(2S)-6-amino-2-[[1-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]carbonylamino]hexanoic acid
CID 22795574
2-(benzhydrylamino)pentanoic acid
CID 65055273

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate?
The IUPAC name of tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate (CID 11772629) is tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate.
What is the SMILES notation for tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate?
The canonical SMILES for tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate is CC(C)(C)OC(=O)[C@H](CCCN)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate?
The InChIKey is VZXZXDHKOBFEBY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(2,3)26-21(25)19(15-10-16-23)24-20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19-20,24H,10,15-16,23H2,1-3H3/t19-/m0/s1.
What are the key properties of tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate?
tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate has a molecular weight of 354.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate is sourced from PubChem (CID 11772629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).