4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid

C10H18N2O4 — CID 61166887

IUPAC4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(C)(C)CNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)6-11-9(16)12-7(13)4-5-8(14)15/h4-6H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyAYWNEUBHIMNITC-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.72
Rot. Bonds4

About 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid

4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 61166887) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
PubChem CID61166887
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(C)(C)CNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)6-11-9(16)12-7(13)4-5-8(14)15/h4-6H2,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyAYWNEUBHIMNITC-UHFFFAOYSA-N
XLogP0.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-5-oxopentanoic acid
CID 28931577
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid
CID 104762323
4-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-4-oxobutanoic acid
CID 28745891
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
CID 110465776
4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 43552577
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106340043
4-oxo-4-(pent-4-ynylcarbamoylamino)butanoic acid
CID 106222414
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
4-[[(4-methoxy-4-oxobutanoyl)carbamoylamino]oxycarbamoylamino]-4-oxobutanoic acid
CID 87758902

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid (CID 61166887) is 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid is CC(C)(C)CNC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is AYWNEUBHIMNITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)6-11-9(16)12-7(13)4-5-8(14)15/h4-6H2,1-3H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid?
4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 61166887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).