tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate

C15H24N2O2 — CID 143401846

IUPACtert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNCC(N)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)11-17-10-13(16)9-12-7-5-4-6-8-12/h4-8,13,17H,9-11,16H2,1-3H3
InChIKeyMTZZGWLMMYHCDT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.49
Rot. Bonds6

About tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate

tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate (PubChem CID 143401846) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate
PubChem CID143401846
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNCC(N)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)11-17-10-13(16)9-12-7-5-4-6-8-12/h4-8,13,17H,9-11,16H2,1-3H3
InChIKeyMTZZGWLMMYHCDT-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]acetate
CID 122600516
(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 71433228
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl 4-[(1-amino-2-phenylethyl)amino]-4-oxobutanoate
CID 174616268
2-[(3-bromophenyl)methyl]-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 53487185
ditert-butyl (2S)-2-benzylbutanedioate
CID 148503318
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
CID 67006160
tert-butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 166781222
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
(2S)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 11482453

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate (CID 143401846) is tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate is CC(C)(C)OC(=O)CNCC(N)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate?
The InChIKey is MTZZGWLMMYHCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)11-17-10-13(16)9-12-7-5-4-6-8-12/h4-8,13,17H,9-11,16H2,1-3H3.
What are the key properties of tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate?
tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate has a molecular weight of 264.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate is sourced from PubChem (CID 143401846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).