methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate

C13H22N2O8 — CID 90449496

IUPACmethyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CCCC(=O)N[C@H](CO)C(=O)OC
InChIInChI=1S/C13H22N2O8/c1-22-12(20)8(6-16)14-10(18)4-3-5-11(19)15-9(7-17)13(21)23-2/h8-9,16-17H,3-7H2,1-2H3,(H,14,18)(H,15,19)/t8-,9-/m1/s1
InChIKeyLKHAGWZBGHINPV-RKDXNWHRSA-N
MW334.33 g/mol
LogP-2.54
Rot. Bonds10

About methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate

methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate (PubChem CID 90449496) has the molecular formula C13H22N2O8 and a molecular weight of 334.33 g/mol. Its IUPAC name is methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
PubChem CID90449496
Molecular FormulaC13H22N2O8
Molecular Weight334.33 g/mol
Exact Mass334.14
IUPAC Namemethyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CCCC(=O)N[C@H](CO)C(=O)OC
InChIInChI=1S/C13H22N2O8/c1-22-12(20)8(6-16)14-10(18)4-3-5-11(19)15-9(7-17)13(21)23-2/h8-9,16-17H,3-7H2,1-2H3,(H,14,18)(H,15,19)/t8-,9-/m1/s1
InChIKeyLKHAGWZBGHINPV-RKDXNWHRSA-N
XLogP-2.54
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-hydroxy-2-(3-methylsulfonylpropanoylamino)propanoate
CID 43623416
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
methyl (2S)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoate
CID 86583928
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
CID 163407483
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
dimethyl (2S)-2-(5-oxohexanoylamino)pentanedioate
CID 59384171
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957
methyl 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)propanoate
CID 43405741
methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate (CID 90449496) is methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate is COC(=O)[C@@H](CO)NC(=O)CCCC(=O)N[C@H](CO)C(=O)OC.
What is the InChIKey of methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate?
The InChIKey is LKHAGWZBGHINPV-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H22N2O8/c1-22-12(20)8(6-16)14-10(18)4-3-5-11(19)15-9(7-17)13(21)23-2/h8-9,16-17H,3-7H2,1-2H3,(H,14,18)(H,15,19)/t8-,9-/m1/s1.
What are the key properties of methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate?
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate has a molecular weight of 334.33 g/mol, XLogP of -2.54, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate is sourced from PubChem (CID 90449496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).