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

C12H24N2O3 — CID 62853195

IUPAC3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(CC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-13(8-10(5)11(15)16)12(17)14(7-2)9(3)4/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyZDYRNNUJQMCMOP-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.88
Rot. Bonds6

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

3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62853195) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62853195
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(CC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-13(8-10(5)11(15)16)12(17)14(7-2)9(3)4/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyZDYRNNUJQMCMOP-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853557
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369
3-[ethyl-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852306
3-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62851345
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62852484
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid
CID 79012580
3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853214
3-[ethyl-[2-(propan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62853903

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 62853195) is 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(CC)C(C)C.
What is the InChIKey of 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is ZDYRNNUJQMCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-13(8-10(5)11(15)16)12(17)14(7-2)9(3)4/h9-10H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).