5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid

C15H29N3O3 — CID 105419701

IUPAC5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H29N3O3/c1-12(7-5-8-13(19)20)16-14(21)18(4)11-15(17(2)3)9-6-10-15/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyYGUWZGSVUARCOD-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.76
Rot. Bonds8

About 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid (PubChem CID 105419701) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
PubChem CID105419701
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H29N3O3/c1-12(7-5-8-13(19)20)16-14(21)18(4)11-15(17(2)3)9-6-10-15/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyYGUWZGSVUARCOD-UHFFFAOYSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
CID 105419709
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 105419658
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid (CID 105419701) is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid?
The InChIKey is YGUWZGSVUARCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(7-5-8-13(19)20)16-14(21)18(4)11-15(17(2)3)9-6-10-15/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid?
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid is sourced from PubChem (CID 105419701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).