benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate

C14H20N2O4 — CID 150423836

IUPACbenzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate
SMILESNCCCC(=O)NCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c15-8-4-7-13(18)16-9-12(17)14(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10,15H2,(H,16,18)
InChIKeyHIISLEIVBRFMIQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.05
Rot. Bonds8

About benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate

benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate (PubChem CID 150423836) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate
PubChem CID150423836
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namebenzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate
SMILESNCCCC(=O)NCC(O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c15-8-4-7-13(18)16-9-12(17)14(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10,15H2,(H,16,18)
InChIKeyHIISLEIVBRFMIQ-UHFFFAOYSA-N
XLogP-0.05
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate
CID 19926320
benzyl (2S)-2-hydroxy-3-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]propanoate
CID 97255894
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride
CID 119295533
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
benzyl (2R)-2-hydroxypent-4-enoate
CID 11356210
benzyl 3-(bicyclo[3.1.0]hexane-6-carbonylamino)-2-hydroxypropanoate
CID 75440912
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate?
The IUPAC name of benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate (CID 150423836) is benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate.
What is the SMILES notation for benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate?
The canonical SMILES for benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate is NCCCC(=O)NCC(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate?
The InChIKey is HIISLEIVBRFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-8-4-7-13(18)16-9-12(17)14(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10,15H2,(H,16,18).
What are the key properties of benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate?
benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate has a molecular weight of 280.32 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 150423836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).