2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate

C15H23N3O5 — CID 143560156

IUPAC2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate
SMILESCCC(=O)NC(CO)C(=O)OCc1ccccc1.NCC(N)=O
InChIInChI=1S/C13H17NO4.C2H6N2O/c1-2-12(16)14-11(8-15)13(17)18-9-10-6-4-3-5-7-10;3-1-2(4)5/h3-7,11,15H,2,8-9H2,1H3,(H,14,16);1,3H2,(H2,4,5)
InChIKeyPIYXSNQVNVCRAR-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.95
Rot. Bonds7

About 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate

2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate (PubChem CID 143560156) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate.

Molecular Properties

Compound Name2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate
PubChem CID143560156
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate
SMILESCCC(=O)NC(CO)C(=O)OCc1ccccc1.NCC(N)=O
InChIInChI=1S/C13H17NO4.C2H6N2O/c1-2-12(16)14-11(8-15)13(17)18-9-10-6-4-3-5-7-10;3-1-2(4)5/h3-7,11,15H,2,8-9H2,1H3,(H,14,16);1,3H2,(H2,4,5)
InChIKeyPIYXSNQVNVCRAR-UHFFFAOYSA-N
XLogP-0.95
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
CID 143560110
benzyl 2-(ethoxycarbonylamino)-3-hydroxypropanoate;hydrate
CID 174458411
benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
CID 154332295
benzyl (2S)-5-[[(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 11071675
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 70603822
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
ethyl (2S)-5-[[(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 59821487
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 91977223
benzyl 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoate;2,2,2-trifluoroacetic acid
CID 174584239
benzyl 3-methyl-2-[[4-methyl-2-(propanoylamino)pentanoyl]amino]butanoate
CID 175097056
benzyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 14420417

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate?
The IUPAC name of 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate (CID 143560156) is 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate.
What is the SMILES notation for 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate?
The canonical SMILES for 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate is CCC(=O)NC(CO)C(=O)OCc1ccccc1.NCC(N)=O.
What is the InChIKey of 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate?
The InChIKey is PIYXSNQVNVCRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4.C2H6N2O/c1-2-12(16)14-11(8-15)13(17)18-9-10-6-4-3-5-7-10;3-1-2(4)5/h3-7,11,15H,2,8-9H2,1H3,(H,14,16);1,3H2,(H2,4,5).
What are the key properties of 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate?
2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate has a molecular weight of 325.37 g/mol, XLogP of -0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate is sourced from PubChem (CID 143560156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).