methyl 2-methyl-2-(propylcarbamoylamino)pentanoate

C11H22N2O3 — CID 43624107

IUPACmethyl 2-methyl-2-(propylcarbamoylamino)pentanoate
SMILESCCCNC(=O)NC(C)(CCC)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-7-11(3,9(14)16-4)13-10(15)12-8-6-2/h5-8H2,1-4H3,(H2,12,13,15)
InChIKeySDNGEBDHJGNJJK-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.43
Rot. Bonds6

About methyl 2-methyl-2-(propylcarbamoylamino)pentanoate

methyl 2-methyl-2-(propylcarbamoylamino)pentanoate (PubChem CID 43624107) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-methyl-2-(propylcarbamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(propylcarbamoylamino)pentanoate
PubChem CID43624107
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-methyl-2-(propylcarbamoylamino)pentanoate
SMILESCCCNC(=O)NC(C)(CCC)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-7-11(3,9(14)16-4)13-10(15)12-8-6-2/h5-8H2,1-4H3,(H2,12,13,15)
InChIKeySDNGEBDHJGNJJK-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(2,2,2-trifluoroethylcarbamoylamino)pentanoate
CID 113463047
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086
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
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 119729099
2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 103994211
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(propylcarbamoylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(propylcarbamoylamino)pentanoate (CID 43624107) is methyl 2-methyl-2-(propylcarbamoylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(propylcarbamoylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(propylcarbamoylamino)pentanoate is CCCNC(=O)NC(C)(CCC)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(propylcarbamoylamino)pentanoate?
The InChIKey is SDNGEBDHJGNJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7-11(3,9(14)16-4)13-10(15)12-8-6-2/h5-8H2,1-4H3,(H2,12,13,15).
What are the key properties of methyl 2-methyl-2-(propylcarbamoylamino)pentanoate?
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate has a molecular weight of 230.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(propylcarbamoylamino)pentanoate is sourced from PubChem (CID 43624107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).