(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid

C9H16N2O5 — CID 107830111

IUPAC(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
SMILESCOC(C)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-5(16-2)8(13)11-6(9(14)15)3-4-7(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12)(H,11,13)(H,14,15)/t5?,6-/m1/s1
InChIKeyJWJORVXNOUIQEA-PRJDIBJQSA-N
MW232.24 g/mol
LogP-1.14
Rot. Bonds7

About (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid (PubChem CID 107830111) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
PubChem CID107830111
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
SMILESCOC(C)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-5(16-2)8(13)11-6(9(14)15)3-4-7(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12)(H,11,13)(H,14,15)/t5?,6-/m1/s1
InChIKeyJWJORVXNOUIQEA-PRJDIBJQSA-N
XLogP-1.14
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
CID 107821565
(2R)-5-amino-2-[(2-amino-3-methoxypropanoyl)amino]-5-oxopentanoic acid
CID 107830338
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
CID 142184881
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
CID 62838558
(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 107830332
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
2-[(2-acetamido-3-carboxypropanoyl)amino]-5-amino-5-oxopentanoic acid
CID 73073678
(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-amino-5-oxopentanoic acid
CID 11722500

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid (CID 107830111) is (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid is COC(C)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid?
The InChIKey is JWJORVXNOUIQEA-PRJDIBJQSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-5(16-2)8(13)11-6(9(14)15)3-4-7(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12)(H,11,13)(H,14,15)/t5?,6-/m1/s1.
What are the key properties of (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).