2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

C15H28N2O4 — CID 63065274

IUPAC2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOCCN(C(=O)N(CC(=O)O)CC(C)C)C(C)C1CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)9-16(10-14(18)19)15(20)17(7-8-21-4)12(3)13-5-6-13/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyQNNOWWSKEFCUBB-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.90
Rot. Bonds9

About 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065274) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065274
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOCCN(C(=O)N(CC(=O)O)CC(C)C)C(C)C1CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)9-16(10-14(18)19)15(20)17(7-8-21-4)12(3)13-5-6-13/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyQNNOWWSKEFCUBB-UHFFFAOYSA-N
XLogP1.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (CID 63065274) is 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is COCCN(C(=O)N(CC(=O)O)CC(C)C)C(C)C1CC1.
What is the InChIKey of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is QNNOWWSKEFCUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)9-16(10-14(18)19)15(20)17(7-8-21-4)12(3)13-5-6-13/h11-13H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).