methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate

C11H22N2O3 — CID 43624086

IUPACmethyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
SMILESCCCC(C)(NC(=O)NC(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-7-11(4,9(14)16-5)13-10(15)12-8(2)3/h8H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyVGHVEZOTNLTTOL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.43
Rot. Bonds5

About methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate

methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate (PubChem CID 43624086) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
PubChem CID43624086
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
SMILESCCCC(C)(NC(=O)NC(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-7-11(4,9(14)16-5)13-10(15)12-8(2)3/h8H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyVGHVEZOTNLTTOL-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate
CID 113463047
methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
CID 114811481
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
CID 106828159
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
CID 120589059
methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate
CID 65204200
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate (CID 43624086) is methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate is CCCC(C)(NC(=O)NC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate?
The InChIKey is VGHVEZOTNLTTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-7-11(4,9(14)16-5)13-10(15)12-8(2)3/h8H,6-7H2,1-5H3,(H2,12,13,15).
What are the key properties of methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate?
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate has a molecular weight of 230.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate is sourced from PubChem (CID 43624086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).