6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid

C14H26N2O3 — CID 65289120

IUPAC6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
SMILESCN(C(=O)CNCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,7-6-13(18)19)8-9-15-10-12(17)16(3)11-4-5-11/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyZTSNMPXTDDMAJR-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds9

About 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid

6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65289120) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65289120
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
SMILESCN(C(=O)CNCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,7-6-13(18)19)8-9-15-10-12(17)16(3)11-4-5-11/h11,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyZTSNMPXTDDMAJR-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
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

N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide
CID 113409928
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287692
N-cyclopropyl-N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63828584
N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide
CID 106247244
N-cyclopropyl-N-methyl-2-(2-methylbutan-2-ylamino)acetamide
CID 61488557
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid (CID 65289120) is 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid is CN(C(=O)CNCCC(C)(C)CCC(=O)O)C1CC1.
What is the InChIKey of 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is ZTSNMPXTDDMAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,7-6-13(18)19)8-9-15-10-12(17)16(3)11-4-5-11/h11,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65289120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).