6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid

C12H21NO4 — CID 61432529

IUPAC6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
SMILESCN(CC1CCCO1)C(=O)CCCCC(=O)O
InChIInChI=1S/C12H21NO4/c1-13(9-10-5-4-8-17-10)11(14)6-2-3-7-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyJDGQHICGIMTYHA-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds7

About 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid

6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid (PubChem CID 61432529) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
PubChem CID61432529
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
SMILESCN(CC1CCCO1)C(=O)CCCCC(=O)O
InChIInChI=1S/C12H21NO4/c1-13(9-10-5-4-8-17-10)11(14)6-2-3-7-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyJDGQHICGIMTYHA-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
CID 61436258
7-(oxolan-2-yl)heptanoic acid
CID 174977398
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
5-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61435718
4-[3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686880
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
N-methyl-N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61436099
N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61436363

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid (CID 61432529) is 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid is CN(CC1CCCO1)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid?
The InChIKey is JDGQHICGIMTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(9-10-5-4-8-17-10)11(14)6-2-3-7-12(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid?
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 61432529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).