2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid

C13H27N3O3 — CID 79256526

IUPAC2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid
SMILESCC(C)N(C)CCNC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-10(2)15(6)8-7-14-12(19)16(9-11(17)18)13(3,4)5/h10H,7-9H2,1-6H3,(H,14,19)(H,17,18)
InChIKeyGGGJCRVYJOGIEW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.22
Rot. Bonds6

About 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid

2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid (PubChem CID 79256526) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid
PubChem CID79256526
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid
SMILESCC(C)N(C)CCNC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H27N3O3/c1-10(2)15(6)8-7-14-12(19)16(9-11(17)18)13(3,4)5/h10H,7-9H2,1-6H3,(H,14,19)(H,17,18)
InChIKeyGGGJCRVYJOGIEW-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid
CID 79256585
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
3-[tert-butyl-[2-(dimethylamino)ethylcarbamoyl]amino]propanoic acid
CID 61189216
2-[tert-butyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 115521249
2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid
CID 106340782
2-[2-[butan-2-yl(methyl)amino]ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 114134222
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
2-[tert-butyl(5-methylsulfanylpentylcarbamoyl)amino]acetic acid
CID 114128497
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid (CID 79256526) is 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid is CC(C)N(C)CCNC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid?
The InChIKey is GGGJCRVYJOGIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-10(2)15(6)8-7-14-12(19)16(9-11(17)18)13(3,4)5/h10H,7-9H2,1-6H3,(H,14,19)(H,17,18).
What are the key properties of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79256526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).