2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid

C13H27N3O3 — CID 79257355

IUPAC2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid
SMILESCN(C)CCCN(C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-13(2,3)16(10-11(17)18)12(19)15(6)9-7-8-14(4)5/h7-10H2,1-6H3,(H,17,18)
InChIKeyHRWMMIQNKKVHCA-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.17
Rot. Bonds6

About 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid

2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid (PubChem CID 79257355) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid
PubChem CID79257355
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid
SMILESCN(C)CCCN(C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-13(2,3)16(10-11(17)18)12(19)15(6)9-7-8-14(4)5/h7-10H2,1-6H3,(H,17,18)
InChIKeyHRWMMIQNKKVHCA-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid (CID 79257355) is 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid is CN(C)CCCN(C)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid?
The InChIKey is HRWMMIQNKKVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-13(2,3)16(10-11(17)18)12(19)15(6)9-7-8-14(4)5/h7-10H2,1-6H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79257355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).