(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid

C10H14N2O2 — CID 24999684

IUPAC(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
SMILESC[C@](N)(C(=O)O)[C@H](N)c1ccccc1
InChIInChI=1S/C10H14N2O2/c1-10(12,9(13)14)8(11)7-5-3-2-4-6-7/h2-6,8H,11-12H2,1H3,(H,13,14)/t8-,10-/m1/s1
InChIKeyYBUTUQZDUQBDJC-PSASIEDQSA-N
MW194.23 g/mol
LogP0.49
Rot. Bonds3

About (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid

(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid (PubChem CID 24999684) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
PubChem CID24999684
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
SMILESC[C@](N)(C(=O)O)[C@H](N)c1ccccc1
InChIInChI=1S/C10H14N2O2/c1-10(12,9(13)14)8(11)7-5-3-2-4-6-7/h2-6,8H,11-12H2,1H3,(H,13,14)/t8-,10-/m1/s1
InChIKeyYBUTUQZDUQBDJC-PSASIEDQSA-N
XLogP0.49
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2,3-dimethylbutanoic acid;diphenylmethanone
CID 174596221
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate
CID 159907951
benzoic acid;diphenylmethanamine
CID 3075109
3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 70199608
(1-amino-2-methyl-1-phenylpropan-2-yl)phosphonic acid;2-hydroxypropanoic acid
CID 68614393
3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 84676780
4-[(1S)-1-amino-2,2-dimethylpropyl]benzoic acid
CID 171238860
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
2-amino-3-phenylbutan-2-ol
CID 68615274

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid?
The IUPAC name of (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid (CID 24999684) is (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid is C[C@](N)(C(=O)O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid?
The InChIKey is YBUTUQZDUQBDJC-PSASIEDQSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(12,9(13)14)8(11)7-5-3-2-4-6-7/h2-6,8H,11-12H2,1H3,(H,13,14)/t8-,10-/m1/s1.
What are the key properties of (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid?
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 24999684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).