4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid

C10H21NO3 — CID 65067772

IUPAC4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
SMILESCCC(COC)N(C)CCCC(=O)O
InChIInChI=1S/C10H21NO3/c1-4-9(8-14-3)11(2)7-5-6-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyDMLXUZLRVYTKTI-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.21
Rot. Bonds8

About 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid

4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid (PubChem CID 65067772) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
PubChem CID65067772
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
SMILESCCC(COC)N(C)CCCC(=O)O
InChIInChI=1S/C10H21NO3/c1-4-9(8-14-3)11(2)7-5-6-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyDMLXUZLRVYTKTI-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[cyclopropyl(1-methoxybutan-2-yl)amino]propanoic acid
CID 65054827
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726
5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
CID 60949459
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
CID 65067773
ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
CID 177367560
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid
CID 64661402
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61452796

Frequently Asked Questions

What is the IUPAC name of 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid?
The IUPAC name of 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid (CID 65067772) is 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid is CCC(COC)N(C)CCCC(=O)O.
What is the InChIKey of 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid?
The InChIKey is DMLXUZLRVYTKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-9(8-14-3)11(2)7-5-6-10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid?
4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid is sourced from PubChem (CID 65067772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).