2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid

C12H24N2O5 — CID 62472882

IUPAC2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(C(=O)NC(CCOC)C(=O)O)C(C)COC
InChIInChI=1S/C12H24N2O5/c1-5-14(9(2)8-19-4)12(17)13-10(11(15)16)6-7-18-3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYUOHAXJKFIIOMA-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.54
Rot. Bonds9

About 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid

2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62472882) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62472882
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(C(=O)NC(CCOC)C(=O)O)C(C)COC
InChIInChI=1S/C12H24N2O5/c1-5-14(9(2)8-19-4)12(17)13-10(11(15)16)6-7-18-3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYUOHAXJKFIIOMA-UHFFFAOYSA-N
XLogP0.54
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62475240
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668669
2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62475235
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62480788
2-[[butan-2-yl(ethyl)carbamoyl]amino]hexanoic acid
CID 61199662
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid (CID 62472882) is 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid is CCN(C(=O)NC(CCOC)C(=O)O)C(C)COC.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is YUOHAXJKFIIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-5-14(9(2)8-19-4)12(17)13-10(11(15)16)6-7-18-3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid?
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62472882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).