(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid

C10H16N2O7 — CID 107824352

IUPAC(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C(N)CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O7/c1-19-8(15)3-2-6(10(17)18)12-9(16)5(11)4-7(13)14/h5-6H,2-4,11H2,1H3,(H,12,16)(H,13,14)(H,17,18)/t5?,6-/m1/s1
InChIKeyKNGLVEVDCBJPMM-PRJDIBJQSA-N
MW276.25 g/mol
LogP-1.69
Rot. Bonds8

About (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107824352) has the molecular formula C10H16N2O7 and a molecular weight of 276.25 g/mol. Its IUPAC name is (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107824352
Molecular FormulaC10H16N2O7
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C(N)CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O7/c1-19-8(15)3-2-6(10(17)18)12-9(16)5(11)4-7(13)14/h5-6H,2-4,11H2,1H3,(H,12,16)(H,13,14)(H,17,18)/t5?,6-/m1/s1
InChIKeyKNGLVEVDCBJPMM-PRJDIBJQSA-N
XLogP-1.69
TPSA156.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824186
2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
CID 82786912
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 113342344
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
(3S)-3-amino-4-[[(1S)-3-amino-1-carboxypropyl]amino]-4-oxobutanoic acid
CID 175825996
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
(2S)-2-[(2-amino-3-methoxypropanoyl)amino]pentanedioic acid
CID 81089262
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 145454379
2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]propanoylamino]pentanedioic acid
CID 18247708
2-[(2,4-diamino-4-oxobutanoyl)amino]pentanedioic acid
CID 18218179
(2S)-2-[(2-amino-3-carboxypropanoyl)amino]butanedioic acid
CID 87433801
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 145454423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid (CID 107824352) is (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)C(N)CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is KNGLVEVDCBJPMM-PRJDIBJQSA-N. The full InChI is InChI=1S/C10H16N2O7/c1-19-8(15)3-2-6(10(17)18)12-9(16)5(11)4-7(13)14/h5-6H,2-4,11H2,1H3,(H,12,16)(H,13,14)(H,17,18)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 276.25 g/mol, XLogP of -1.69, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107824352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).