2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid

C14H29N3O3 — CID 79256585

IUPAC2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid
SMILESCCN(CC)CCCNC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H29N3O3/c1-6-16(7-2)10-8-9-15-13(20)17(11-12(18)19)14(3,4)5/h6-11H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyUAZOEYGJNHJSRV-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.61
Rot. Bonds8

About 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid

2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid (PubChem CID 79256585) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid
PubChem CID79256585
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid
SMILESCCN(CC)CCCNC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H29N3O3/c1-6-16(7-2)10-8-9-15-13(20)17(11-12(18)19)14(3,4)5/h6-11H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyUAZOEYGJNHJSRV-UHFFFAOYSA-N
XLogP1.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 115521249
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
2-[tert-butyl(5-methylsulfanylpentylcarbamoyl)amino]acetic acid
CID 114128497
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256526
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid
CID 106340782
2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid
CID 79350936
3-[tert-butyl(3-ethoxypropylcarbamoyl)amino]propanoic acid
CID 61191596
2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
CID 79256452
2-[carboxymethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetic acid
CID 141486592
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid (CID 79256585) is 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid is CCN(CC)CCCNC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid?
The InChIKey is UAZOEYGJNHJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-6-16(7-2)10-8-9-15-13(20)17(11-12(18)19)14(3,4)5/h6-11H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid has a molecular weight of 287.40 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79256585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).