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

C11H20N2O5 — CID 113342344

IUPAC(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)9(12)10(15)13-7(11(16)17)4-5-8(14)18-3/h6-7,9H,4-5,12H2,1-3H3,(H,13,15)(H,16,17)/t7-,9-/m1/s1
InChIKeyQZCOVFOEIIKIMU-VXNVDRBHSA-N
MW260.29 g/mol
LogP-0.51
Rot. Bonds7

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

(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 113342344) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID113342344
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)9(12)10(15)13-7(11(16)17)4-5-8(14)18-3/h6-7,9H,4-5,12H2,1-3H3,(H,13,15)(H,16,17)/t7-,9-/m1/s1
InChIKeyQZCOVFOEIIKIMU-VXNVDRBHSA-N
XLogP-0.51
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82781084
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 145458818
(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824435
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 145458847
5-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 18232276
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
CID 107147000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 113342344) is (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is QZCOVFOEIIKIMU-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6(2)9(12)10(15)13-7(11(16)17)4-5-8(14)18-3/h6-7,9H,4-5,12H2,1-3H3,(H,13,15)(H,16,17)/t7-,9-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 113342344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).