tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate

C22H28N2O4 — CID 24901606

IUPACtert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)19(23)13-14-20(25)24-17-9-11-18(12-10-17)27-15-16-7-5-4-6-8-16/h4-12,19H,13-15,23H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyHPXZNBKBSKPEKV-IBGZPJMESA-N
MW384.48 g/mol
LogP3.65
Rot. Bonds8

About tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate

tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate (PubChem CID 24901606) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate
PubChem CID24901606
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)19(23)13-14-20(25)24-17-9-11-18(12-10-17)27-15-16-7-5-4-6-8-16/h4-12,19H,13-15,23H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyHPXZNBKBSKPEKV-IBGZPJMESA-N
XLogP3.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
CID 24768560
(2S)-2-amino-4-{[4-(2-hydroxy-2-phenylethoxy)phenyl]carbamoyl}butanoic acid
CID 24901622
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
(4S)-4-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoic acid
CID 24901600
methyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901605
(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
CID 24901607
(2S)-2-amino-N-[4-(benzyloxy)phenyl]-N''-hydroxypentanediamide
CID 24901608
methyl (2S)-2-amino-4-{[3-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901613
(2S)-2-amino-4-[(4-phenoxyphenyl)carbamoyl]butanoic acid
CID 24901615
(2S)-2-amino-4-{[4-(2-phenylethoxy)phenyl]carbamoyl}butanoic acid
CID 24901619

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate?
The IUPAC name of tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate (CID 24901606) is tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate is CC(C)(C)OC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate?
The InChIKey is HPXZNBKBSKPEKV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)19(23)13-14-20(25)24-17-9-11-18(12-10-17)27-15-16-7-5-4-6-8-16/h4-12,19H,13-15,23H2,1-3H3,(H,24,25)/t19-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate?
tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate has a molecular weight of 384.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoate is sourced from PubChem (CID 24901606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).