benzyl (3R)-3-(ethylamino)butanoate

C13H19NO2 — CID 59005233

IUPACbenzyl (3R)-3-(ethylamino)butanoate
SMILESCCN[C@H](C)CC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14-11(2)9-13(15)16-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyHEPPFSZJUDCMHM-LLVKDONJSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds6

About benzyl (3R)-3-(ethylamino)butanoate

benzyl (3R)-3-(ethylamino)butanoate (PubChem CID 59005233) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is benzyl (3R)-3-(ethylamino)butanoate.

Molecular Properties

Compound Namebenzyl (3R)-3-(ethylamino)butanoate
PubChem CID59005233
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebenzyl (3R)-3-(ethylamino)butanoate
SMILESCCN[C@H](C)CC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14-11(2)9-13(15)16-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyHEPPFSZJUDCMHM-LLVKDONJSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxo-4-phenylmethoxybutan-2-yl)carbamic acid
CID 144536072
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090
benzyl 3-hydroxybutanoate
CID 562226
benzyl (3S)-3-(benzylamino)-4-methylpentanoate
CID 101135569
1-phenylethyl 3-(ethylamino)butanoate
CID 62828023
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl (3S,4S)-3-hydroxy-4-methylhexanoate
CID 125473269
benzyl 2-(ethylamino)-4-methylpentanoate
CID 142463414
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl (3S)-3-aminopentanoate
CID 89472657
benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
CID 154332295

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(ethylamino)butanoate?
The IUPAC name of benzyl (3R)-3-(ethylamino)butanoate (CID 59005233) is benzyl (3R)-3-(ethylamino)butanoate.
What is the SMILES notation for benzyl (3R)-3-(ethylamino)butanoate?
The canonical SMILES for benzyl (3R)-3-(ethylamino)butanoate is CCN[C@H](C)CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3R)-3-(ethylamino)butanoate?
The InChIKey is HEPPFSZJUDCMHM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14-11(2)9-13(15)16-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of benzyl (3R)-3-(ethylamino)butanoate?
benzyl (3R)-3-(ethylamino)butanoate has a molecular weight of 221.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(ethylamino)butanoate is sourced from PubChem (CID 59005233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).