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

C11H21N3O4 — CID 82688722

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCC(=O)N(C)C
InChIInChI=1S/C11H21N3O4/c1-8(4-5-10(16)17)6-12-11(18)13-7-9(15)14(2)3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyBAXGKRDVRWXSJJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.13
Rot. Bonds7

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

5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 82688722) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID82688722
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCC(=O)N(C)C
InChIInChI=1S/C11H21N3O4/c1-8(4-5-10(16)17)6-12-11(18)13-7-9(15)14(2)3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyBAXGKRDVRWXSJJ-UHFFFAOYSA-N
XLogP-0.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid
CID 81069323
5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid
CID 82689190
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 82013028
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 82014762

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid (CID 82688722) is 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)NCC(=O)N(C)C.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is BAXGKRDVRWXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-8(4-5-10(16)17)6-12-11(18)13-7-9(15)14(2)3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid?
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82688722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).