(3-amino-2-phenylpropyl) 2-aminoacetate

C11H16N2O2 — CID 174564415

IUPAC(3-amino-2-phenylpropyl) 2-aminoacetate
SMILESNCC(=O)OCC(CN)c1ccccc1
InChIInChI=1S/C11H16N2O2/c12-6-10(8-15-11(14)7-13)9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2
InChIKeyGZDSWJXDASABGX-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.23
Rot. Bonds5

About (3-amino-2-phenylpropyl) 2-aminoacetate

(3-amino-2-phenylpropyl) 2-aminoacetate (PubChem CID 174564415) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-amino-2-phenylpropyl) 2-aminoacetate.

Molecular Properties

Compound Name(3-amino-2-phenylpropyl) 2-aminoacetate
PubChem CID174564415
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-amino-2-phenylpropyl) 2-aminoacetate
SMILESNCC(=O)OCC(CN)c1ccccc1
InChIInChI=1S/C11H16N2O2/c12-6-10(8-15-11(14)7-13)9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2
InChIKeyGZDSWJXDASABGX-UHFFFAOYSA-N
XLogP0.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl (3R)-4-amino-3-phenylbutanoate
CID 2057331
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
3-methoxy-2-phenylpropan-1-amine
CID 66968828
methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
2-phenylbutyl pentanoate
CID 101292556
2-phenylpentyl pentanoate
CID 101292559
bis(3-methoxy-2-phenylpropyl) carbonate
CID 141468293
2,2-bis(4-fluorophenyl)ethyl 2-aminoacetate
CID 145114209
methyl 8-amino-7-phenyloctanoate
CID 10060632
octyl 4-amino-3-phenylbutanoate
CID 69403918

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-phenylpropyl) 2-aminoacetate?
The IUPAC name of (3-amino-2-phenylpropyl) 2-aminoacetate (CID 174564415) is (3-amino-2-phenylpropyl) 2-aminoacetate.
What is the SMILES notation for (3-amino-2-phenylpropyl) 2-aminoacetate?
The canonical SMILES for (3-amino-2-phenylpropyl) 2-aminoacetate is NCC(=O)OCC(CN)c1ccccc1.
What is the InChIKey of (3-amino-2-phenylpropyl) 2-aminoacetate?
The InChIKey is GZDSWJXDASABGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-6-10(8-15-11(14)7-13)9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2.
What are the key properties of (3-amino-2-phenylpropyl) 2-aminoacetate?
(3-amino-2-phenylpropyl) 2-aminoacetate has a molecular weight of 208.26 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-phenylpropyl) 2-aminoacetate is sourced from PubChem (CID 174564415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).