5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid

C12H23N3O4 — CID 103995818

IUPAC5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CCNC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-12(2,3)6-7-14-11(19)15-8(10(17)18)4-5-9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyMBPUYASEILKNHR-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.44
Rot. Bonds7

About 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid

5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 103995818) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
PubChem CID103995818
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CCNC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-12(2,3)6-7-14-11(19)15-8(10(17)18)4-5-9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyMBPUYASEILKNHR-UHFFFAOYSA-N
XLogP0.44
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-5-amino-5-oxo-2-(4,4,4-trifluorobutylcarbamoylamino)pentanoic acid
CID 115521247
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
CID 107831064
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid (CID 103995818) is 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid is CC(C)(C)CCNC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is MBPUYASEILKNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-12(2,3)6-7-14-11(19)15-8(10(17)18)4-5-9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid?
5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 103995818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).