5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid

C10H19N3O4 — CID 43210526

IUPAC5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)NC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)13-9(17)12-6(8(15)16)4-5-7(11)14/h6H,4-5H2,1-3H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyHTKYSNWARHLYBO-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.20
Rot. Bonds5

About 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid

5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 43210526) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
PubChem CID43210526
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)NC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)13-9(17)12-6(8(15)16)4-5-7(11)14/h6H,4-5H2,1-3H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyHTKYSNWARHLYBO-UHFFFAOYSA-N
XLogP-0.20
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.20
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
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
CID 107831064
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
CID 174723858
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 90239937

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid (CID 43210526) is 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid is CC(C)(C)NC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is HTKYSNWARHLYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,3)13-9(17)12-6(8(15)16)4-5-7(11)14/h6H,4-5H2,1-3H3,(H2,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid?
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43210526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).