4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid

C11H21N3O4 — CID 82014412

IUPAC4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
SMILESCNC(=O)CCNC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-8(3-4-10(16)17)7-14-11(18)13-6-5-9(15)12-2/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyYWADEROTZDQRRL-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.08
Rot. Bonds8

About 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid

4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid (PubChem CID 82014412) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
PubChem CID82014412
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
SMILESCNC(=O)CCNC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-8(3-4-10(16)17)7-14-11(18)13-6-5-9(15)12-2/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyYWADEROTZDQRRL-UHFFFAOYSA-N
XLogP-0.08
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
CID 65222904
5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
CID 82010370
5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid
CID 82689190
4-methyl-5-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]pentanoic acid
CID 106431579
2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 80541843
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 66165318
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 82688722
5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 107856038
4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 82014762
5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 82013028
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid (CID 82014412) is 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid is CNC(=O)CCNC(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid?
The InChIKey is YWADEROTZDQRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-8(3-4-10(16)17)7-14-11(18)13-6-5-9(15)12-2/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid?
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.08, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 82014412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).