5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid

C11H20N2O4 — CID 104681859

IUPAC5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid
SMILESCC(=O)N(C)CC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(11(16)17)5-4-6-12-10(15)7-13(3)9(2)14/h8H,4-7H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyCKAWWEQBZPWLEI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.08
Rot. Bonds7

About 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid

5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid (PubChem CID 104681859) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid
PubChem CID104681859
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid
SMILESCC(=O)N(C)CC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(11(16)17)5-4-6-12-10(15)7-13(3)9(2)14/h8H,4-7H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyCKAWWEQBZPWLEI-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
2-[acetyl(methyl)amino]-N-dodecylacetamide
CID 154143762
2-[acetyl(methyl)amino]-N-hexylacetamide
CID 71897485
2-methyl-5-(pentanoylamino)pentanoic acid
CID 104682493
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
CID 107831537
2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
CID 104686710
4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541817
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid
CID 107833506
6-[(2-bromoacetyl)amino]-2-methylhexanoic acid
CID 118167390
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
CID 104686265

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid (CID 104681859) is 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid is CC(=O)N(C)CC(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid?
The InChIKey is CKAWWEQBZPWLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(11(16)17)5-4-6-12-10(15)7-13(3)9(2)14/h8H,4-7H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid?
5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104681859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).