5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid

C13H25N3O4 — CID 28931577

IUPAC5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid
SMILESCN(C)CC(C)(C)CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-13(2,9-16(3)4)8-14-12(20)15-10(17)6-5-7-11(18)19/h5-9H2,1-4H3,(H,18,19)(H2,14,15,17,20)
InChIKeyRLSCAVFRGHUJKO-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.65
Rot. Bonds8

About 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid

5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid (PubChem CID 28931577) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid
PubChem CID28931577
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid
SMILESCN(C)CC(C)(C)CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-13(2,9-16(3)4)8-14-12(20)15-10(17)6-5-7-11(18)19/h5-9H2,1-4H3,(H,18,19)(H2,14,15,17,20)
InChIKeyRLSCAVFRGHUJKO-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
CID 61166887
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991892
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
CID 24701938
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 79798346
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
CID 28931731
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812631
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 80540539

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid (CID 28931577) is 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid is CN(C)CC(C)(C)CNC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid?
The InChIKey is RLSCAVFRGHUJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-13(2,9-16(3)4)8-14-12(20)15-10(17)6-5-7-11(18)19/h5-9H2,1-4H3,(H,18,19)(H2,14,15,17,20).
What are the key properties of 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid?
5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).