3-(2-aminoethylamino)-3-phenylpropanoic acid

C11H16N2O2 — CID 145335697

IUPAC3-(2-aminoethylamino)-3-phenylpropanoic acid
SMILESNCCNC(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c12-6-7-13-10(8-11(14)15)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15)
InChIKeyFDGDSYKPYQYONB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds6

About 3-(2-aminoethylamino)-3-phenylpropanoic acid

3-(2-aminoethylamino)-3-phenylpropanoic acid (PubChem CID 145335697) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-aminoethylamino)-3-phenylpropanoic acid
PubChem CID145335697
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-aminoethylamino)-3-phenylpropanoic acid
SMILESNCCNC(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c12-6-7-13-10(8-11(14)15)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15)
InChIKeyFDGDSYKPYQYONB-UHFFFAOYSA-N
XLogP0.75
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
3-phenyl-3-(propylamino)propanamide
CID 65235689
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
N-(2-aminoethyl)-N'-(1-phenylpropyl)oxamide
CID 62304180
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
3-(9-aminononanoylamino)-3-phenylpropanoic acid;methoxymethane
CID 160625754
(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-(2-aminoethylamino)-3-phenylpropanoic acid (CID 145335697) is 3-(2-aminoethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2-aminoethylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2-aminoethylamino)-3-phenylpropanoic acid is NCCNC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-aminoethylamino)-3-phenylpropanoic acid?
The InChIKey is FDGDSYKPYQYONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-6-7-13-10(8-11(14)15)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15).
What are the key properties of 3-(2-aminoethylamino)-3-phenylpropanoic acid?
3-(2-aminoethylamino)-3-phenylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 145335697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).