2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid

C12H23N3O4 — CID 61479018

IUPAC2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
SMILESCCNC(=O)C(C)NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-13-10(16)8(4)14-12(19)15-9(11(17)18)6-7(2)3/h7-9H,5-6H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyRQVOVEIREUROQJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.31
Rot. Bonds7

About 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid

2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 61479018) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
PubChem CID61479018
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
SMILESCCNC(=O)C(C)NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-13-10(16)8(4)14-12(19)15-9(11(17)18)6-7(2)3/h7-9H,5-6H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyRQVOVEIREUROQJ-UHFFFAOYSA-N
XLogP0.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61479056
(2S)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-3-methylbutanoic acid
CID 54959008
(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826825
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
CID 78976126
(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 78976356
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107826833
(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]-4-methylpentanedioic acid
CID 167021445
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 78975508

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid (CID 61479018) is 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid is CCNC(=O)C(C)NC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is RQVOVEIREUROQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-5-13-10(16)8(4)14-12(19)15-9(11(17)18)6-7(2)3/h7-9H,5-6H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid?
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 61479018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).