2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid

C12H18N2O2 — CID 103258828

IUPAC2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
SMILESCc1ccc([C@@H](C)NCC(N)C(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-8-3-5-10(6-4-8)9(2)14-7-11(13)12(15)16/h3-6,9,11,14H,7,13H2,1-2H3,(H,15,16)/t9-,11?/m1/s1
InChIKeyDDRRLNLGVDRFQD-BFHBGLAWSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds5

About 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid

2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid (PubChem CID 103258828) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
PubChem CID103258828
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
SMILESCc1ccc([C@@H](C)NCC(N)C(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-8-3-5-10(6-4-8)9(2)14-7-11(13)12(15)16/h3-6,9,11,14H,7,13H2,1-2H3,(H,15,16)/t9-,11?/m1/s1
InChIKeyDDRRLNLGVDRFQD-BFHBGLAWSA-N
XLogP1.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 103246089
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 103257311
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250
2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 64583236
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
CID 79624776
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid (CID 103258828) is 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid is Cc1ccc([C@@H](C)NCC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid?
The InChIKey is DDRRLNLGVDRFQD-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-3-5-10(6-4-8)9(2)14-7-11(13)12(15)16/h3-6,9,11,14H,7,13H2,1-2H3,(H,15,16)/t9-,11?/m1/s1.
What are the key properties of 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid?
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 103258828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).