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

C12H23N3O4 — CID 82687737

IUPAC5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H23N3O4/c1-9(5-6-11(17)18)7-13-12(19)15(4)8-10(16)14(2)3/h9H,5-8H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyYBGHHBLSRHTFAG-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.22
Rot. Bonds7

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

5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid (PubChem CID 82687737) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
PubChem CID82687737
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H23N3O4/c1-9(5-6-11(17)18)7-13-12(19)15(4)8-10(16)14(2)3/h9H,5-8H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyYBGHHBLSRHTFAG-UHFFFAOYSA-N
XLogP0.22
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 82688722
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
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107201655
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 43445725
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid (CID 82687737) is 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N(C)CC(=O)N(C)C.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is YBGHHBLSRHTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-9(5-6-11(17)18)7-13-12(19)15(4)8-10(16)14(2)3/h9H,5-8H2,1-4H3,(H,13,19)(H,17,18).
What are the key properties of 5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid?
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.22, 7 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]-methylcarbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82687737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).