benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate

C12H17NO3 — CID 154332295

IUPACbenzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
SMILESCCN[C@H](CO)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-13-11(8-14)12(15)16-9-10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyNGFFOJQSHALIHJ-LLVKDONJSA-N
MW223.27 g/mol
LogP0.70
Rot. Bonds6

About benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate

benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate (PubChem CID 154332295) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
PubChem CID154332295
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namebenzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
SMILESCCN[C@H](CO)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-13-11(8-14)12(15)16-9-10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyNGFFOJQSHALIHJ-LLVKDONJSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(ethylamino)-4-methylpentanoate
CID 142463414
benzyl 2-(ethylamino)-4-(methylamino)butanoate
CID 138598569
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 2-(ethoxycarbonylamino)-3-hydroxypropanoate;hydrate
CID 174458411
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate
CID 143560156
benzyl 3-hydroxy-2-(2-hydroxyanilino)propanoate
CID 70364391
benzyl (2S)-4-hydroxy-2-(propylamino)butanoate;hydrochloride
CID 172732914
benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
CID 143560110
benzyl (3R)-3-(ethylamino)butanoate
CID 59005233
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoylamino]pentanoate
CID 14842513
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate?
The IUPAC name of benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate (CID 154332295) is benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate.
What is the SMILES notation for benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate?
The canonical SMILES for benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate is CCN[C@H](CO)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate?
The InChIKey is NGFFOJQSHALIHJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-13-11(8-14)12(15)16-9-10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3/t11-/m1/s1.
What are the key properties of benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate?
benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate has a molecular weight of 223.27 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate is sourced from PubChem (CID 154332295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).