2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

C13H26N2O4 — CID 62822030

IUPAC2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CCCO)C(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-15(13(4,5)11(17)18)12(19)14(10(2)3)8-7-9-16/h10,16H,6-9H2,1-5H3,(H,17,18)
InChIKeyXDIQMJJMFDWLRT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.38
Rot. Bonds7

About 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62822030) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62822030
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CCCO)C(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-15(13(4,5)11(17)18)12(19)14(10(2)3)8-7-9-16/h10,16H,6-9H2,1-5H3,(H,17,18)
InChIKeyXDIQMJJMFDWLRT-UHFFFAOYSA-N
XLogP1.38
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 62822030) is 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)N(CCCO)C(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is XDIQMJJMFDWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-15(13(4,5)11(17)18)12(19)14(10(2)3)8-7-9-16/h10,16H,6-9H2,1-5H3,(H,17,18).
What are the key properties of 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).