5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid

C13H25N3O4 — CID 82689316

IUPAC5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CC(=O)N(C)C)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-5-16(9-11(17)15(3)4)13(20)14-8-10(2)6-7-12(18)19/h10H,5-9H2,1-4H3,(H,14,20)(H,18,19)
InChIKeyWMNFHXBADZFZOU-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.61
Rot. Bonds8

About 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid

5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid (PubChem CID 82689316) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
PubChem CID82689316
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CC(=O)N(C)C)C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-5-16(9-11(17)15(3)4)13(20)14-8-10(2)6-7-12(18)19/h10H,5-9H2,1-4H3,(H,14,20)(H,18,19)
InChIKeyWMNFHXBADZFZOU-UHFFFAOYSA-N
XLogP0.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
3-[[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]pentanoic acid
CID 81069933
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 82688722
5-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82013488
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667
4-methyl-5-[[methyl(prop-2-ynyl)carbamoyl]amino]pentanoic acid
CID 82014438
4-methyl-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 82688124

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid (CID 82689316) is 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid is CCN(CC(=O)N(C)C)C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is WMNFHXBADZFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-5-16(9-11(17)15(3)4)13(20)14-8-10(2)6-7-12(18)19/h10H,5-9H2,1-4H3,(H,14,20)(H,18,19).
What are the key properties of 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid?
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82689316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).