6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid

C11H20N2O4 — CID 43567860

IUPAC6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
SMILESCC(C)NC(=O)CNC(=O)CCCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)13-10(15)7-12-9(14)5-3-4-6-11(16)17/h8H,3-7H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyTWSIPWQJLGTWEP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.27
Rot. Bonds8

About 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid

6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid (PubChem CID 43567860) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
PubChem CID43567860
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
SMILESCC(C)NC(=O)CNC(=O)CCCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)13-10(15)7-12-9(14)5-3-4-6-11(16)17/h8H,3-7H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyTWSIPWQJLGTWEP-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 43515188
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276
N,N'-di(propan-2-yl)decanediamide
CID 58997511
5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl-propan-2-ylamino]propanoic acid
CID 61203436
5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
CID 82847762
2-[[2-[4-(propan-2-ylamino)butanoylamino]acetyl]amino]acetic acid
CID 61160831
3,3-dimethyl-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 62933699
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
14-[[1-carboxy-4-(carboxymethylamino)-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 123780808
2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
CID 146653603

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid?
The IUPAC name of 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid (CID 43567860) is 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid is CC(C)NC(=O)CNC(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid?
The InChIKey is TWSIPWQJLGTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)13-10(15)7-12-9(14)5-3-4-6-11(16)17/h8H,3-7H2,1-2H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid?
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid is sourced from PubChem (CID 43567860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).