2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid

C11H14N2O3 — CID 6992304

IUPAC2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyGLUBLISJVJFHQS-VIFPVBQESA-N
MW222.24 g/mol
LogP-0.24
Rot. Bonds5

About 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid

2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid (PubChem CID 6992304) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid
PubChem CID6992304
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyGLUBLISJVJFHQS-VIFPVBQESA-N
XLogP-0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid (CID 6992304) is 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid is N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid?
The InChIKey is GLUBLISJVJFHQS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid?
2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid has a molecular weight of 222.24 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetic acid is sourced from PubChem (CID 6992304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).