4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid

C12H24N2O4 — CID 62480432

IUPAC4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
SMILESCCCC(C)N(C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-9(2)14(3)12(17)13-10(11(15)16)7-8-18-4/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyQONUICKEPVFINL-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds8

About 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid

4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid (PubChem CID 62480432) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
PubChem CID62480432
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
SMILESCCCC(C)N(C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-9(2)14(3)12(17)13-10(11(15)16)7-8-18-4/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyQONUICKEPVFINL-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
3-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662945
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid (CID 62480432) is 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid is CCCC(C)N(C)C(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid?
The InChIKey is QONUICKEPVFINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-6-9(2)14(3)12(17)13-10(11(15)16)7-8-18-4/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid?
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62480432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).