2-methyl-2-(pentanoylamino)pentanedioic acid

C11H19NO5 — CID 174482649

IUPAC2-methyl-2-(pentanoylamino)pentanedioic acid
SMILESCCCCC(=O)NC(C)(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO5/c1-3-4-5-8(13)12-11(2,10(16)17)7-6-9(14)15/h3-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyPVNWCPLEEQGKJW-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.00
Rot. Bonds8

About 2-methyl-2-(pentanoylamino)pentanedioic acid

2-methyl-2-(pentanoylamino)pentanedioic acid (PubChem CID 174482649) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-methyl-2-(pentanoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-methyl-2-(pentanoylamino)pentanedioic acid
PubChem CID174482649
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-methyl-2-(pentanoylamino)pentanedioic acid
SMILESCCCCC(=O)NC(C)(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO5/c1-3-4-5-8(13)12-11(2,10(16)17)7-6-9(14)15/h3-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyPVNWCPLEEQGKJW-UHFFFAOYSA-N
XLogP1.00
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
4-(2-carboxyethyl)-4-(hexanoylamino)heptanedioic acid
CID 102045445
(2R)-2-methyl-2-(3-oxododecanoylamino)decanoic acid
CID 162532296
(2S)-4-hydroxy-2-methyl-2-(6-oxooctanoylamino)butanoic acid
CID 142037846
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
CID 43618824
4-hydroxy-4-methyloctanoic acid
CID 18462846
(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
CID 97233847
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pentanoylamino)pentanedioic acid?
The IUPAC name of 2-methyl-2-(pentanoylamino)pentanedioic acid (CID 174482649) is 2-methyl-2-(pentanoylamino)pentanedioic acid.
What is the SMILES notation for 2-methyl-2-(pentanoylamino)pentanedioic acid?
The canonical SMILES for 2-methyl-2-(pentanoylamino)pentanedioic acid is CCCCC(=O)NC(C)(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-methyl-2-(pentanoylamino)pentanedioic acid?
The InChIKey is PVNWCPLEEQGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-4-5-8(13)12-11(2,10(16)17)7-6-9(14)15/h3-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-(pentanoylamino)pentanedioic acid?
2-methyl-2-(pentanoylamino)pentanedioic acid has a molecular weight of 245.27 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pentanoylamino)pentanedioic acid is sourced from PubChem (CID 174482649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).