(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid

C10H14N2O2 — CID 91046027

IUPAC(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
SMILESNC[C@](N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c11-7-10(12,9(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7,11-12H2,(H,13,14)/t10-/m1/s1
InChIKeyWCGBOVIVHQKNAO-SNVBAGLBSA-N
MW194.23 g/mol
LogP-0.03
Rot. Bonds4

About (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid

(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid (PubChem CID 91046027) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
PubChem CID91046027
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
SMILESNC[C@](N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c11-7-10(12,9(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7,11-12H2,(H,13,14)/t10-/m1/s1
InChIKeyWCGBOVIVHQKNAO-SNVBAGLBSA-N
XLogP-0.03
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
2-amino-2-benzylpentanoic acid
CID 24974249
(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid
CID 91872641
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
(3S)-3-amino-3-benzylhex-5-yn-2-one;(2S)-2-amino-2-benzylpent-4-ynoic acid
CID 158740028
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
ethyl 2-amino-2-benzylbutanoate
CID 10857051
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418
(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid (CID 91046027) is (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid is NC[C@](N)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid?
The InChIKey is WCGBOVIVHQKNAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-7-10(12,9(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7,11-12H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid?
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid is sourced from PubChem (CID 91046027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).