(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate

C14H21NO2 — CID 20769130

IUPAC(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(N)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)13(16)17-10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3
InChIKeyDXFAKFSKVWAXCI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds4

About (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate

(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate (PubChem CID 20769130) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
PubChem CID20769130
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(N)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)13(16)17-10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3
InChIKeyDXFAKFSKVWAXCI-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid
CID 21074196
(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 71433228
2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
CID 90766727

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate (CID 20769130) is (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(N)Cc1ccccc1.
What is the InChIKey of (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate?
The InChIKey is DXFAKFSKVWAXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)13(16)17-10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3.
What are the key properties of (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate?
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate has a molecular weight of 235.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenylpropyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 20769130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).