2-(carbamoylamino)ethyl 2,2-dimethylbutanoate

C9H18N2O3 — CID 153178486

IUPAC2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCNC(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-9(2,3)7(12)14-6-5-11-8(10)13/h4-6H2,1-3H3,(H3,10,11,13)
InChIKeyWFRLZZWATGPYFP-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.63
Rot. Bonds5

About 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate

2-(carbamoylamino)ethyl 2,2-dimethylbutanoate (PubChem CID 153178486) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
PubChem CID153178486
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCNC(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-9(2,3)7(12)14-6-5-11-8(10)13/h4-6H2,1-3H3,(H3,10,11,13)
InChIKeyWFRLZZWATGPYFP-UHFFFAOYSA-N
XLogP0.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxycarbonylamino]ethyl 2,2-dimethylbutanoate
CID 160743498
sodium [2-(2,2-dimethylbutanoyloxy)ethylamino]-oxomethanesulfonate
CID 21020860
2-(3,3-difluorobutoxycarbonylamino)ethyl 2,2-dimethylbutanoate
CID 89446879
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]-2-oxoacetyl]oxyethyl 2,2-dimethylbutanoate
CID 58611640
2-[2-(2,2-dimethylbutanoyloxy)ethylamino]-1,1-difluoro-2-oxoethanesulfonate
CID 59503223
2-[(2-phenylacetyl)amino]ethyl 2,2-dimethylbutanoate
CID 159462856
[3-oxo-3-[2-(tritiooxycarbonylamino)ethoxy]propyl] 2,2-dimethylbutanoate
CID 58226179
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
[2-oxo-2-[2-(sulfanyloxycarbonylamino)ethoxy]ethyl] 2,2-dimethylbutanoate
CID 58226155
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate (CID 153178486) is 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate?
The InChIKey is WFRLZZWATGPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-9(2,3)7(12)14-6-5-11-8(10)13/h4-6H2,1-3H3,(H3,10,11,13).
What are the key properties of 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate?
2-(carbamoylamino)ethyl 2,2-dimethylbutanoate has a molecular weight of 202.25 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 153178486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).