benzyl (2R)-2-amino-3-(methylamino)propanoate

C11H16N2O2 — CID 95383646

IUPACbenzyl (2R)-2-amino-3-(methylamino)propanoate
SMILESCNC[C@@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13-7-10(12)11(14)15-8-9-5-3-2-4-6-9/h2-6,10,13H,7-8,12H2,1H3/t10-/m1/s1
InChIKeyPZXBGNCUDGLPEA-SNVBAGLBSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds5

About benzyl (2R)-2-amino-3-(methylamino)propanoate

benzyl (2R)-2-amino-3-(methylamino)propanoate (PubChem CID 95383646) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is benzyl (2R)-2-amino-3-(methylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-3-(methylamino)propanoate
PubChem CID95383646
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namebenzyl (2R)-2-amino-3-(methylamino)propanoate
SMILESCNC[C@@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13-7-10(12)11(14)15-8-9-5-3-2-4-6-9/h2-6,10,13H,7-8,12H2,1H3/t10-/m1/s1
InChIKeyPZXBGNCUDGLPEA-SNVBAGLBSA-N
XLogP0.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
benzyl (2R)-2-amino-3-(phenylmethoxycarbonylamino)propanoate;2,2,2-trifluoroacetic acid
CID 134608665
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294
benzyl 2-amino-4-methoxybutanoate
CID 62479875

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-3-(methylamino)propanoate?
The IUPAC name of benzyl (2R)-2-amino-3-(methylamino)propanoate (CID 95383646) is benzyl (2R)-2-amino-3-(methylamino)propanoate.
What is the SMILES notation for benzyl (2R)-2-amino-3-(methylamino)propanoate?
The canonical SMILES for benzyl (2R)-2-amino-3-(methylamino)propanoate is CNC[C@@H](N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-amino-3-(methylamino)propanoate?
The InChIKey is PZXBGNCUDGLPEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-7-10(12)11(14)15-8-9-5-3-2-4-6-9/h2-6,10,13H,7-8,12H2,1H3/t10-/m1/s1.
What are the key properties of benzyl (2R)-2-amino-3-(methylamino)propanoate?
benzyl (2R)-2-amino-3-(methylamino)propanoate has a molecular weight of 208.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-3-(methylamino)propanoate is sourced from PubChem (CID 95383646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).