4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid

C11H21N3O4 — CID 62049449

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
SMILESCN(C)C(=O)CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(2,6-5-9(16)17)13-10(18)12-7-8(15)14(3)4/h5-7H2,1-4H3,(H,16,17)(H2,12,13,18)
InChIKeyMBILKTLTZYUPBC-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.02
Rot. Bonds6

About 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid

4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 62049449) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID62049449
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
SMILESCN(C)C(=O)CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(2,6-5-9(16)17)13-10(18)12-7-8(15)14(3)4/h5-7H2,1-4H3,(H,16,17)(H2,12,13,18)
InChIKeyMBILKTLTZYUPBC-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
CID 83114202
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
4-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63832295
4-[(4-ethoxy-4-oxobutyl)carbamoylamino]-4-methylpentanoic acid
CID 64576045
4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
CID 83204394
4-methyl-4-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222819
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
4-methyl-4-(5-methylsulfanylpentylcarbamoylamino)pentanoic acid
CID 114128566
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 82688722
6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
CID 65287278

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid (CID 62049449) is 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid is CN(C)C(=O)CNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is MBILKTLTZYUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,6-5-9(16)17)13-10(18)12-7-8(15)14(3)4/h5-7H2,1-4H3,(H,16,17)(H2,12,13,18).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62049449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).