(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid

C11H16N2O2 — CID 70585968

IUPAC(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid
SMILESC[C@H](NCC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8(11(14)15)13-7-10(12)9-5-3-2-4-6-9/h2-6,8,10,13H,7,12H2,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeyOIHSZWUWALNFTP-PEHGTWAWSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds5

About (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid

(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid (PubChem CID 70585968) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid
PubChem CID70585968
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid
SMILESC[C@H](NCC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8(11(14)15)13-7-10(12)9-5-3-2-4-6-9/h2-6,8,10,13H,7,12H2,1H3,(H,14,15)/t8-,10?/m0/s1
InChIKeyOIHSZWUWALNFTP-PEHGTWAWSA-N
XLogP0.75
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
4-[[(1S)-1-carboxyethyl]amino]-2-phenylbutanoic acid
CID 67799293
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
CID 122038180
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid (CID 70585968) is (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid is C[C@H](NCC(N)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid?
The InChIKey is OIHSZWUWALNFTP-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(11(14)15)13-7-10(12)9-5-3-2-4-6-9/h2-6,8,10,13H,7,12H2,1H3,(H,14,15)/t8-,10?/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid?
(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 70585968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).