2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid

C14H29N3O3 — CID 62822020

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(CN(C)C)C(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-8-17(14(4,5)12(18)19)13(20)15-11(10(2)3)9-16(6)7/h10-11H,8-9H2,1-7H3,(H,15,20)(H,18,19)
InChIKeyMDXHERGANNCPPS-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.47
Rot. Bonds7

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid

2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 62822020) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID62822020
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(CN(C)C)C(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-8-17(14(4,5)12(18)19)13(20)15-11(10(2)3)9-16(6)7/h10-11H,8-9H2,1-7H3,(H,15,20)(H,18,19)
InChIKeyMDXHERGANNCPPS-UHFFFAOYSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid (CID 62822020) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)NC(CN(C)C)C(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is MDXHERGANNCPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-8-17(14(4,5)12(18)19)13(20)15-11(10(2)3)9-16(6)7/h10-11H,8-9H2,1-7H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62822020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).