2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid

C9H18N2O3 — CID 43468018

IUPAC2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCCNC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5-10-8(14)11-6(7(12)13)9(2,3)4/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14)
InChIKeyOVFKTFKIPACVEC-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.80
Rot. Bonds3

About 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid

2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 43468018) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
PubChem CID43468018
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCCNC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5-10-8(14)11-6(7(12)13)9(2,3)4/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14)
InChIKeyOVFKTFKIPACVEC-UHFFFAOYSA-N
XLogP0.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
(2S)-3,3-dimethyl-2-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
CID 61187872
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
(2S)-3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 61197432
(2S)-3,3-dimethyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 63960155
(2S)-2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 103996460
(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 106900425
(2R)-2-(3-ethoxypropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 113353155
(2S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 83112727
2-[(1-carboxy-2,2-dimethylpropyl)carbamoylamino]pentanedioic acid;propane
CID 144741623

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid (CID 43468018) is 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid is CCNC(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is OVFKTFKIPACVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-10-8(14)11-6(7(12)13)9(2,3)4/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid?
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43468018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).