2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid

C14H27N3O3 — CID 105419686

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N3O3/c1-6-11(12(18)19)17(5)13(20)16(4)10-14(15(2)3)8-7-9-14/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyGUPQDHRLZYAHKJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.32
Rot. Bonds6

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid (PubChem CID 105419686) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
PubChem CID105419686
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N3O3/c1-6-11(12(18)19)17(5)13(20)16(4)10-14(15(2)3)8-7-9-14/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyGUPQDHRLZYAHKJ-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[dimethylcarbamoyl(methyl)amino]-3-methylbutanoic acid
CID 156313106
2-[Dimethylcarbamoyl(methyl)amino]-3-methylbutanoic acid
CID 156313108
(2S)-2-[[3-(dimethylamino)azetidine-1-carbonyl]-methylamino]-3-methylbutanoic acid
CID 170733695
2-[[3-(Dimethylamino)azetidine-1-carbonyl]-methylamino]-3-methylbutanoic acid
CID 174176077
2-Methyl-2-[methyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 55123517
2-[[Cyclobutylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 55125821
2-[[2-[(Dimethylamino)methyl]pyrrolidine-1-carbonyl]-methylamino]butanoic acid
CID 55128289
2-[[Cyclobutylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55135792
2-[(2,2-Dimethylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
CID 55161369
2-[[2-(Dimethylamino)ethyl-(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
CID 61811207
2-[[1-Cyclopropylethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 61811617
2-[Methyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 61811618

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid (CID 105419686) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid?
The InChIKey is GUPQDHRLZYAHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-6-11(12(18)19)17(5)13(20)16(4)10-14(15(2)3)8-7-9-14/h11H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 105419686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).