3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

C11H23N3O4 — CID 66176598

IUPAC3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)CCCN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H23N3O4/c1-11(18,9(15)16)8-12-10(17)14(4)7-5-6-13(2)3/h18H,5-8H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyVUGQYTFIGLVZQM-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.58
Rot. Bonds7

About 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176598) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176598
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)CCCN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H23N3O4/c1-11(18,9(15)16)8-12-10(17)14(4)7-5-6-13(2)3/h18H,5-8H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyVUGQYTFIGLVZQM-UHFFFAOYSA-N
XLogP-0.58
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
2-hydroxy-2-methyl-3-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]propanoic acid
CID 112662584
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 66177000
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 66177198
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299719
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
CID 114101324

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66176598) is 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is CN(C)CCCN(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is VUGQYTFIGLVZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-11(18,9(15)16)8-12-10(17)14(4)7-5-6-13(2)3/h18H,5-8H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of -0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).