3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid

C14H27N3O3 — CID 79319687

IUPAC3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C14H27N3O3/c1-5-17(9-11(2)13(18)19)14(20)16(4)10-12-7-6-8-15(12)3/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyFGDSVQCSFPXSSC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.17
Rot. Bonds6

About 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 79319687) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
PubChem CID79319687
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C14H27N3O3/c1-5-17(9-11(2)13(18)19)14(20)16(4)10-12-7-6-8-15(12)3/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyFGDSVQCSFPXSSC-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid (CID 79319687) is 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(C)CC1CCCN1C.
What is the InChIKey of 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is FGDSVQCSFPXSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-17(9-11(2)13(18)19)14(20)16(4)10-12-7-6-8-15(12)3/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79319687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).