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

C12H24N2O4 — CID 54948701

IUPAC2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(CC)CCOC
InChIInChI=1S/C12H24N2O4/c1-5-10(3)14(9-11(15)16)12(17)13(6-2)7-8-18-4/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyAFFIZVSBGPTCAK-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.26
Rot. Bonds8

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

2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid (PubChem CID 54948701) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
PubChem CID54948701
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(CC)CCOC
InChIInChI=1S/C12H24N2O4/c1-5-10(3)14(9-11(15)16)12(17)13(6-2)7-8-18-4/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyAFFIZVSBGPTCAK-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[butan-2-yl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61452739
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid (CID 54948701) is 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(CC)CCOC.
What is the InChIKey of 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid?
The InChIKey is AFFIZVSBGPTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-10(3)14(9-11(15)16)12(17)13(6-2)7-8-18-4/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid has a molecular weight of 260.33 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54948701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).