2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid

C13H25N3O4 — CID 105419658

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-15(2)13(6-4-7-13)9-16(3)12(20)14-10(5-8-17)11(18)19/h10,17H,4-9H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyVRQAEQMCBJFBBR-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.05
Rot. Bonds7

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 105419658) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID105419658
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-15(2)13(6-4-7-13)9-16(3)12(20)14-10(5-8-17)11(18)19/h10,17H,4-9H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyVRQAEQMCBJFBBR-UHFFFAOYSA-N
XLogP-0.05
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid with MolForge

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Related Compounds

(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701
(2R)-4-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 107828444
(2S)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827294
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826160
(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
(2R)-4-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107826407
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
CID 107567774
(2S)-4-hydroxy-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 107827740
(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826744

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid (CID 105419658) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid is CN(CC1(N(C)C)CCC1)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is VRQAEQMCBJFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-15(2)13(6-4-7-13)9-16(3)12(20)14-10(5-8-17)11(18)19/h10,17H,4-9H2,1-3H3,(H,14,20)(H,18,19).
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 105419658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).