2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid

C13H26N2O3 — CID 63843747

IUPAC2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid
SMILESCCC(CC)C(C)NC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-11(7-2)10(5)14-13(18)15(9(3)4)8-12(16)17/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyAWTILAXIGSXWRE-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds7

About 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid

2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid (PubChem CID 63843747) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid
PubChem CID63843747
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid
SMILESCCC(CC)C(C)NC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-11(7-2)10(5)14-13(18)15(9(3)4)8-12(16)17/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyAWTILAXIGSXWRE-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[hexan-3-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62119342
2-[3-ethylpentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266133
2-[3-ethylpentan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79283560
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
2-[hex-1-yn-3-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106232378
2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62406177
2-[2-[butan-2-yl(methyl)amino]ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 114134222
2-(3-ethylpentan-2-ylamino)-2-oxoacetic acid
CID 63836816
2-[propan-2-yl(prop-2-ynylcarbamoyl)amino]acetic acid
CID 61192933
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
CID 61479072

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid (CID 63843747) is 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid is CCC(CC)C(C)NC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid?
The InChIKey is AWTILAXIGSXWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-11(7-2)10(5)14-13(18)15(9(3)4)8-12(16)17/h9-11H,6-8H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid?
2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 63843747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).