4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid

C13H27N3O3 — CID 55228127

IUPAC4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCN(C)CCCN(C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H27N3O3/c1-13(2,8-7-11(17)18)14-12(19)16(5)10-6-9-15(3)4/h6-10H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyPTWUAEVIJXJGFT-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.22
Rot. Bonds8

About 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid

4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid (PubChem CID 55228127) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
PubChem CID55228127
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCN(C)CCCN(C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H27N3O3/c1-13(2,8-7-11(17)18)14-12(19)16(5)10-6-9-15(3)4/h6-10H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyPTWUAEVIJXJGFT-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864148
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 81057369
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 62921763
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
CID 62048697
3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
CID 82323749
4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid (CID 55228127) is 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid is CN(C)CCCN(C)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is PTWUAEVIJXJGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-13(2,8-7-11(17)18)14-12(19)16(5)10-6-9-15(3)4/h6-10H2,1-5H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 273.38 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 55228127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).