propan-2-yl (2S)-2-(ethylamino)propanoate

C8H17NO2 — CID 134571850

IUPACpropan-2-yl (2S)-2-(ethylamino)propanoate
SMILESCCN[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2/c1-5-9-7(4)8(10)11-6(2)3/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyGDHPXRUIBIODFM-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds4

About propan-2-yl (2S)-2-(ethylamino)propanoate

propan-2-yl (2S)-2-(ethylamino)propanoate (PubChem CID 134571850) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is propan-2-yl (2S)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-(ethylamino)propanoate
PubChem CID134571850
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepropan-2-yl (2S)-2-(ethylamino)propanoate
SMILESCCN[C@@H](C)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2/c1-5-9-7(4)8(10)11-6(2)3/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyGDHPXRUIBIODFM-ZETCQYMHSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
ethane;3-(ethylamino)butan-2-one
CID 145148121
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
1-(ethylamino)ethyl acetate;hydrochloride
CID 174667406
propan-2-yl 2-(methylphosphanylamino)propanoate
CID 145444440
propan-2-yl 2-(dodecanoylamino)propanoate
CID 18625142
propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate
CID 129152201
butan-2-yl 2-(2-hydroxyethylamino)propanoate
CID 82358544
chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
CID 123139392
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-(ethylamino)propanoate?
The IUPAC name of propan-2-yl (2S)-2-(ethylamino)propanoate (CID 134571850) is propan-2-yl (2S)-2-(ethylamino)propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-(ethylamino)propanoate?
The canonical SMILES for propan-2-yl (2S)-2-(ethylamino)propanoate is CCN[C@@H](C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-2-(ethylamino)propanoate?
The InChIKey is GDHPXRUIBIODFM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-9-7(4)8(10)11-6(2)3/h6-7,9H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-(ethylamino)propanoate?
propan-2-yl (2S)-2-(ethylamino)propanoate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-(ethylamino)propanoate is sourced from PubChem (CID 134571850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).