3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc

C12H22N2O6Zn — CID 163678788

IUPAC3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc
SMILESCC(=O)C(N)CC(=O)O.CNC(CC(=O)OC)C(C)=O.[Zn]
InChIInChI=1S/C7H13NO3.C5H9NO3.Zn/c1-5(9)6(8-2)4-7(10)11-3;1-3(7)4(6)2-5(8)9;/h6,8H,4H2,1-3H3;4H,2,6H2,1H3,(H,8,9);
InChIKeyRXSARDDUGGNEJV-UHFFFAOYSA-N
MW355.71 g/mol
LogP-0.90
Rot. Bonds7

About 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc

3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc (PubChem CID 163678788) has the molecular formula C12H22N2O6Zn and a molecular weight of 355.71 g/mol. Its IUPAC name is 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc.

Molecular Properties

Compound Name3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc
PubChem CID163678788
Molecular FormulaC12H22N2O6Zn
Molecular Weight355.71 g/mol
Exact Mass354.08
IUPAC Name3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc
SMILESCC(=O)C(N)CC(=O)O.CNC(CC(=O)OC)C(C)=O.[Zn]
InChIInChI=1S/C7H13NO3.C5H9NO3.Zn/c1-5(9)6(8-2)4-7(10)11-3;1-3(7)4(6)2-5(8)9;/h6,8H,4H2,1-3H3;4H,2,6H2,1H3,(H,8,9);
InChIKeyRXSARDDUGGNEJV-UHFFFAOYSA-N
XLogP-0.90
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
CID 87358992
2-amino-3-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]propanoic acid
CID 129078601
2-[[2-amino-3-[[2-amino-3-[(1-carboxy-3-methoxy-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanoyl]amino]butanedioic acid;dihydrochloride
CID 51353155
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
(3S)-4-aminooxy-3-(methylamino)-4-oxobutanoic acid
CID 90914641
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
CID 172728144
CID 172728144
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
3-amino-4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoic acid
CID 64895138

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc?
The IUPAC name of 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc (CID 163678788) is 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc.
What is the SMILES notation for 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc?
The canonical SMILES for 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc is CC(=O)C(N)CC(=O)O.CNC(CC(=O)OC)C(C)=O.[Zn].
What is the InChIKey of 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc?
The InChIKey is RXSARDDUGGNEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C5H9NO3.Zn/c1-5(9)6(8-2)4-7(10)11-3;1-3(7)4(6)2-5(8)9;/h6,8H,4H2,1-3H3;4H,2,6H2,1H3,(H,8,9);.
What are the key properties of 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc?
3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc has a molecular weight of 355.71 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxopentanoic acid;methyl 3-(methylamino)-4-oxopentanoate;zinc is sourced from PubChem (CID 163678788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).