2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid

C12H20N2O6 — CID 146653603

IUPAC2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
SMILESCOC(=O)CCCCC(=O)NCC(=O)NC(C)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-8(12(18)19)14-10(16)7-13-9(15)5-3-4-6-11(17)20-2/h8H,3-7H2,1-2H3,(H,13,15)(H,14,16)(H,18,19)
InChIKeyUMPNEROGTFWWIV-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.57
Rot. Bonds9

About 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid

2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid (PubChem CID 146653603) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
PubChem CID146653603
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
SMILESCOC(=O)CCCCC(=O)NCC(=O)NC(C)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-8(12(18)19)14-10(16)7-13-9(15)5-3-4-6-11(17)20-2/h8H,3-7H2,1-2H3,(H,13,15)(H,14,16)(H,18,19)
InChIKeyUMPNEROGTFWWIV-UHFFFAOYSA-N
XLogP-0.57
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 10798751
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
methyl 8-oxo-8-(3-oxobutan-2-ylamino)octanoate
CID 167554716
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 171100444
2-[[2-[[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexanoyl]amino]acetyl]amino]propanoic acid
CID 135272526
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
(2S)-2-[[(2R)-9-methoxy-2-methyl-4,9-dioxononanoyl]amino]propanoic acid
CID 159636938
2-(hexanoylamino)propanoic acid
CID 2828500

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid (CID 146653603) is 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid is COC(=O)CCCCC(=O)NCC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid?
The InChIKey is UMPNEROGTFWWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-8(12(18)19)14-10(16)7-13-9(15)5-3-4-6-11(17)20-2/h8H,3-7H2,1-2H3,(H,13,15)(H,14,16)(H,18,19).
What are the key properties of 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid?
2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of -0.57, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 146653603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).