methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate

C11H22N2O3 — CID 62851658

IUPACmethyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCCNCC(C)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-12-7-8(2)9(14)13-11(3,4)10(15)16-5/h8,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyIAYDDGCKOVJXAY-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds6

About methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate

methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate (PubChem CID 62851658) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
PubChem CID62851658
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCCNCC(C)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-12-7-8(2)9(14)13-11(3,4)10(15)16-5/h8,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyIAYDDGCKOVJXAY-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
CID 80543490
3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 64700346
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798571
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
N-ethoxy-3-(ethylamino)-2-methylpropanamide
CID 64974607
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
3-(ethylamino)-2-methylpropanamide
CID 43311981
(3S)-3-amino-4-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73347171
methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
CID 10482842

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate (CID 62851658) is methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate is CCNCC(C)C(=O)NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
The InChIKey is IAYDDGCKOVJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-12-7-8(2)9(14)13-11(3,4)10(15)16-5/h8,12H,6-7H2,1-5H3,(H,13,14).
What are the key properties of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate has a molecular weight of 230.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 62851658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).