(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid

C11H21N3O4 — CID 61209238

IUPAC(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CNC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(2,3)6-13-10(18)14-7(9(16)17)4-5-8(12)15/h7H,4-6H2,1-3H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7-/m0/s1
InChIKeyOGIFBZKHELUGHE-ZETCQYMHSA-N
MW259.31 g/mol
LogP0.05
Rot. Bonds6

About (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 61209238) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
PubChem CID61209238
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CNC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(2,3)6-13-10(18)14-7(9(16)17)4-5-8(12)15/h7H,4-6H2,1-3H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7-/m0/s1
InChIKeyOGIFBZKHELUGHE-ZETCQYMHSA-N
XLogP0.05
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 103995818
(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135
(2R)-5-amino-5-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoic acid
CID 107830131
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
CID 107831064
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 104940138
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-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid (CID 61209238) is (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid is CC(C)(C)CNC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is OGIFBZKHELUGHE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,3)6-13-10(18)14-7(9(16)17)4-5-8(12)15/h7H,4-6H2,1-3H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 61209238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).