2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid

C11H22N2O3 — CID 61198906

IUPAC2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
SMILESCCC(C)N(CC)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-9(4)13(7-3)11(16)12(6-2)8-10(14)15/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyOTRFNTJZOXEUJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.63
Rot. Bonds6

About 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid

2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid (PubChem CID 61198906) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
PubChem CID61198906
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
SMILESCCC(C)N(CC)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-9(4)13(7-3)11(16)12(6-2)8-10(14)15/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyOTRFNTJZOXEUJO-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
CID 55209009
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066155
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234
2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid
CID 120519831
2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
CID 79470163
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid (CID 61198906) is 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid is CCC(C)N(CC)C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid?
The InChIKey is OTRFNTJZOXEUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-9(4)13(7-3)11(16)12(6-2)8-10(14)15/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid?
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid is sourced from PubChem (CID 61198906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).