(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid

C12H22N2O5 — CID 107824435

IUPAC(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)CC(N)C(C)C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-7(2)8(13)6-10(15)14-9(12(17)18)4-5-11(16)19-3/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,17,18)/t8?,9-/m1/s1
InChIKeyRCKZQIDSPVHTPS-YGPZHTELSA-N
MW274.32 g/mol
LogP-0.12
Rot. Bonds8

About (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107824435) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107824435
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)CC(N)C(C)C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-7(2)8(13)6-10(15)14-9(12(17)18)4-5-11(16)19-3/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,17,18)/t8?,9-/m1/s1
InChIKeyRCKZQIDSPVHTPS-YGPZHTELSA-N
XLogP-0.12
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

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Related Compounds

(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 113342344
2-[3-(ethylamino)butanoylamino]-5-methoxy-5-oxopentanoic acid
CID 82786423
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
2-(6-aminohexanoylamino)-5-methoxy-5-oxopentanoic acid
CID 82787226
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786420
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82781084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid (CID 107824435) is (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)CC(N)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is RCKZQIDSPVHTPS-YGPZHTELSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-7(2)8(13)6-10(15)14-9(12(17)18)4-5-11(16)19-3/h7-9H,4-6,13H2,1-3H3,(H,14,15)(H,17,18)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-4-methylpentanoyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107824435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).