3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid

C9H18N2O4 — CID 64605721

IUPAC3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
SMILESCOCCC(C)NC(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-7(4-6-15-2)11-9(14)10-5-3-8(12)13/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeySXHMYFJDZRNZHE-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.19
Rot. Bonds7

About 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid

3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid (PubChem CID 64605721) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
PubChem CID64605721
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
SMILESCOCCC(C)NC(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-7(4-6-15-2)11-9(14)10-5-3-8(12)13/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeySXHMYFJDZRNZHE-UHFFFAOYSA-N
XLogP0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid
CID 64604491
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid
CID 64604896
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
3-[[(2S)-1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]carbamoylamino]propanoic acid
CID 122018058
1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115601463
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 65048026
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 80540820
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
1-(4-hydroxy-2-methylpentyl)-3-(4-methoxybutan-2-yl)urea
CID 111455070
4-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128588
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid (CID 64605721) is 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid is COCCC(C)NC(=O)NCCC(=O)O.
What is the InChIKey of 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is SXHMYFJDZRNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-7(4-6-15-2)11-9(14)10-5-3-8(12)13/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14).
What are the key properties of 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid?
3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 64605721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).