benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate

C14H19NO5 — CID 143560110

IUPACbenzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
SMILESCC(O)CC(=O)NC(CO)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c1-10(17)7-13(18)15-12(8-16)14(19)20-9-11-5-3-2-4-6-11/h2-6,10,12,16-17H,7-9H2,1H3,(H,15,18)
InChIKeyFGLCAHCDMOJKJD-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.02
Rot. Bonds7

About benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate

benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate (PubChem CID 143560110) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
PubChem CID143560110
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namebenzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
SMILESCC(O)CC(=O)NC(CO)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c1-10(17)7-13(18)15-12(8-16)14(19)20-9-11-5-3-2-4-6-11/h2-6,10,12,16-17H,7-9H2,1H3,(H,15,18)
InChIKeyFGLCAHCDMOJKJD-UHFFFAOYSA-N
XLogP-0.02
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
2-aminoacetamide;benzyl 3-hydroxy-2-(propanoylamino)propanoate
CID 143560156
benzyl (2S)-5-[[(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 11071675
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
benzyl 2-(ethoxycarbonylamino)-3-hydroxypropanoate;hydrate
CID 174458411
benzyl 3-hydroxybutanoate
CID 562226
benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
CID 154332295
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)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
CID 46201346
benzyl 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoate;2,2,2-trifluoroacetic acid
CID 174584239
2-[[(2S)-1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]propanoic acid
CID 67659703

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate?
The IUPAC name of benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate (CID 143560110) is benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate.
What is the SMILES notation for benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate?
The canonical SMILES for benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate is CC(O)CC(=O)NC(CO)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate?
The InChIKey is FGLCAHCDMOJKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(17)7-13(18)15-12(8-16)14(19)20-9-11-5-3-2-4-6-11/h2-6,10,12,16-17H,7-9H2,1H3,(H,15,18).
What are the key properties of benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate?
benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate has a molecular weight of 281.31 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate is sourced from PubChem (CID 143560110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).