2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid

C13H27N3O3 — CID 61184394

IUPAC2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCN(CC)CC
InChIInChI=1S/C13H27N3O3/c1-5-11(4)16(10-12(17)18)13(19)14-8-9-15(6-2)7-3/h11H,5-10H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyUANHAAZKEMCXMD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.22
Rot. Bonds9

About 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid

2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid (PubChem CID 61184394) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
PubChem CID61184394
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCN(CC)CC
InChIInChI=1S/C13H27N3O3/c1-5-11(4)16(10-12(17)18)13(19)14-8-9-15(6-2)7-3/h11H,5-10H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyUANHAAZKEMCXMD-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61201518
2-[2-[butan-2-yl(methyl)amino]ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 114134222
2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 61182248
2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
CID 61203871
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid
CID 61195973
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid
CID 24861222
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61184520
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid (CID 61184394) is 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCCN(CC)CC.
What is the InChIKey of 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
The InChIKey is UANHAAZKEMCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-5-11(4)16(10-12(17)18)13(19)14-8-9-15(6-2)7-3/h11H,5-10H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 61184394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).