benzyl 2,3-diaminopropanoate

C10H14N2O2 — CID 19891176

IUPACbenzyl 2,3-diaminopropanoate
SMILESNCC(N)C(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7,11-12H2
InChIKeyGEQXYRVJQQMTCY-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.02
Rot. Bonds4

About benzyl 2,3-diaminopropanoate

benzyl 2,3-diaminopropanoate (PubChem CID 19891176) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is benzyl 2,3-diaminopropanoate.

Molecular Properties

Compound Namebenzyl 2,3-diaminopropanoate
PubChem CID19891176
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namebenzyl 2,3-diaminopropanoate
SMILESNCC(N)C(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7,11-12H2
InChIKeyGEQXYRVJQQMTCY-UHFFFAOYSA-N
XLogP0.02
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294
benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389
benzyl 2-amino-4-iodobutanoate
CID 141050594
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
benzyl 2-amino-3-aminooxypropanoate;hydrochloride
CID 134125396
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130

Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-diaminopropanoate?
The IUPAC name of benzyl 2,3-diaminopropanoate (CID 19891176) is benzyl 2,3-diaminopropanoate.
What is the SMILES notation for benzyl 2,3-diaminopropanoate?
The canonical SMILES for benzyl 2,3-diaminopropanoate is NCC(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,3-diaminopropanoate?
The InChIKey is GEQXYRVJQQMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7,11-12H2.
What are the key properties of benzyl 2,3-diaminopropanoate?
benzyl 2,3-diaminopropanoate has a molecular weight of 194.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-diaminopropanoate is sourced from PubChem (CID 19891176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).