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

C15H30N2O3 — CID 61437486

IUPAC2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
SMILESCCC(CC)CN(CC)C(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C15H30N2O3/c1-6-12(5)17(11-14(18)19)15(20)16(9-4)10-13(7-2)8-3/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyBSGPQPSYVQTBOM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds9

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

2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid (PubChem CID 61437486) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
PubChem CID61437486
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
SMILESCCC(CC)CN(CC)C(=O)N(CC(=O)O)C(C)CC
InChIInChI=1S/C15H30N2O3/c1-6-12(5)17(11-14(18)19)15(20)16(9-4)10-13(7-2)8-3/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyBSGPQPSYVQTBOM-UHFFFAOYSA-N
XLogP3.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
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-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263920
2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
CID 79470163
1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
CID 115589057
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)propanamide
CID 78972081
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234
2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
CID 61161299
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid (CID 61437486) is 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid is CCC(CC)CN(CC)C(=O)N(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
The InChIKey is BSGPQPSYVQTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-12(5)17(11-14(18)19)15(20)16(9-4)10-13(7-2)8-3/h12-13H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid has a molecular weight of 286.42 g/mol, XLogP of 3.05, 9 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(2-ethylbutyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61437486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).