4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid

C11H23N3O3 — CID 62047599

IUPAC4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCN(C)CCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H23N3O3/c1-11(2,6-5-9(15)16)13-10(17)12-7-8-14(3)4/h5-8H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeyLEPKZWXNPFNATL-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.49
Rot. Bonds7

About 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid

4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 62047599) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid
PubChem CID62047599
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCN(C)CCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H23N3O3/c1-11(2,6-5-9(15)16)13-10(17)12-7-8-14(3)4/h5-8H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeyLEPKZWXNPFNATL-UHFFFAOYSA-N
XLogP0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid (CID 62047599) is 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid is CN(C)CCNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is LEPKZWXNPFNATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(2,6-5-9(15)16)13-10(17)12-7-8-14(3)4/h5-8H2,1-4H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid?
4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62047599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).