(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid

C13H25N3O4 — CID 107831064

IUPAC(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
SMILESCC(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C13H25N3O4/c1-8(13(2,3)4)7-15-12(20)16-9(11(18)19)5-6-10(14)17/h8-9H,5-7H2,1-4H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t8?,9-/m1/s1
InChIKeyRYCJIRBJNLRANN-YGPZHTELSA-N
MW287.36 g/mol
LogP0.69
Rot. Bonds7

About (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid

(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid (PubChem CID 107831064) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
PubChem CID107831064
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
SMILESCC(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C13H25N3O4/c1-8(13(2,3)4)7-15-12(20)16-9(11(18)19)5-6-10(14)17/h8-9H,5-7H2,1-4H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t8?,9-/m1/s1
InChIKeyRYCJIRBJNLRANN-YGPZHTELSA-N
XLogP0.69
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2S)-4-methylsulfanyl-2-(2,3,3-trimethylbutylcarbamoylamino)butanoic acid
CID 83143519
5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 103995818
(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135
5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
CID 113363508
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
(2R)-5-amino-5-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoic acid
CID 107830131
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 104940138

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid (CID 107831064) is (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid is CC(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid?
The InChIKey is RYCJIRBJNLRANN-YGPZHTELSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-8(13(2,3)4)7-15-12(20)16-9(11(18)19)5-6-10(14)17/h8-9H,5-7H2,1-4H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t8?,9-/m1/s1.
What are the key properties of (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid?
(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107831064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).