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

C12H22N2O5 — CID 103930427

IUPAC2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)[C@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-12(2,3)9(13)10(16)14-7(11(17)18)5-6-8(15)19-4/h7,9H,5-6,13H2,1-4H3,(H,14,16)(H,17,18)/t7?,9-/m0/s1
InChIKeyHMVAQHHHJDGXHD-NETXQHHPSA-N
MW274.32 g/mol
LogP-0.12
Rot. Bonds6

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

2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 103930427) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID103930427
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)[C@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-12(2,3)9(13)10(16)14-7(11(17)18)5-6-8(15)19-4/h7,9H,5-6,13H2,1-4H3,(H,14,16)(H,17,18)/t7?,9-/m0/s1
InChIKeyHMVAQHHHJDGXHD-NETXQHHPSA-N
XLogP-0.12
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methoxybutanoic acid
CID 62478300
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 113342344
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
(2S)-2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824122
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-[[2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 23424270
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
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
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824186

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 103930427) is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)[C@H](N)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is HMVAQHHHJDGXHD-NETXQHHPSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2,3)9(13)10(16)14-7(11(17)18)5-6-8(15)19-4/h7,9H,5-6,13H2,1-4H3,(H,14,16)(H,17,18)/t7?,9-/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid?
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 103930427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).