2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid

C14H20N2O3 — CID 104897827

IUPAC2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)[C@@H](N)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-16(14(2,3)13(18)19)12(17)11(15)10-8-6-5-7-9-10/h5-9,11H,4,15H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyCBPPEFOQWIZPCR-NSHDSACASA-N
MW264.32 g/mol
LogP1.40
Rot. Bonds5

About 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid

2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 104897827) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID104897827
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)[C@@H](N)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-16(14(2,3)13(18)19)12(17)11(15)10-8-6-5-7-9-10/h5-9,11H,4,15H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyCBPPEFOQWIZPCR-NSHDSACASA-N
XLogP1.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-ethylamino]-2-methylpropanoic acid
CID 103870861
2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103870863
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid
CID 76949889
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
CID 175596193
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820744

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid (CID 104897827) is 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid is CCN(C(=O)[C@@H](N)c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is CBPPEFOQWIZPCR-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(14(2,3)13(18)19)12(17)11(15)10-8-6-5-7-9-10/h5-9,11H,4,15H2,1-3H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid?
2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 104897827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).