tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate

C16H24N2O3 — CID 67334815

IUPACtert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(N)C(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-14(19)10-9-13(17)15(20)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,20)
InChIKeyDFNXIDVCTXWYDF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds6

About tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate

tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate (PubChem CID 67334815) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
PubChem CID67334815
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(N)C(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-14(19)10-9-13(17)15(20)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,20)
InChIKeyDFNXIDVCTXWYDF-UHFFFAOYSA-N
XLogP1.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4R)-4-amino-5-oxo-5-[[4-(trifluoromethyl)phenyl]methylamino]pentanoate
CID 155164381
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
2-amino-N-benzylpentanamide
CID 11020044
1-O-benzyl 7-O-tert-butyl 2-aminoheptanedioate
CID 71052788
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
1-O,1-O-dibenzyl 3-O-tert-butyl propane-1,1,3-tricarboxylate
CID 11315892
tert-butyl 4-[[4-(4-aminophenyl)benzoyl]amino]-5-(benzylamino)-5-oxopentanoate
CID 67333000
tert-butyl 3-amino-4-oxo-4-(2-phenylethylamino)butanoate
CID 14514034
(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid
CID 11381255
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate?
The IUPAC name of tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate (CID 67334815) is tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate.
What is the SMILES notation for tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate?
The canonical SMILES for tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate is CC(C)(C)OC(=O)CCC(N)C(=O)NCc1ccccc1.
What is the InChIKey of tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate?
The InChIKey is DFNXIDVCTXWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-14(19)10-9-13(17)15(20)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate?
tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate has a molecular weight of 292.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate is sourced from PubChem (CID 67334815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).