3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid

C14H27N3O4 — CID 103159150

IUPAC3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
SMILESCOC(CNC(=O)NCC(C)N1CCCCC1)CC(=O)O
InChIInChI=1S/C14H27N3O4/c1-11(17-6-4-3-5-7-17)9-15-14(20)16-10-12(21-2)8-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyVGANDJPXUDOQGT-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.65
Rot. Bonds8

About 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid

3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid (PubChem CID 103159150) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
PubChem CID103159150
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
SMILESCOC(CNC(=O)NCC(C)N1CCCCC1)CC(=O)O
InChIInChI=1S/C14H27N3O4/c1-11(17-6-4-3-5-7-17)9-15-14(20)16-10-12(21-2)8-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyVGANDJPXUDOQGT-UHFFFAOYSA-N
XLogP0.65
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid
CID 62827708
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
3-methoxy-4-[(2-methoxy-2-methylpropyl)carbamoylamino]butanoic acid
CID 103159931
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
CID 103159981
2-pyrrolidin-1-ylpropylurea
CID 112728366
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
4-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-3-methoxybutanoic acid
CID 103159154
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
3-methoxy-4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 103158580
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid
CID 103160120

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid (CID 103159150) is 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid is COC(CNC(=O)NCC(C)N1CCCCC1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid?
The InChIKey is VGANDJPXUDOQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-11(17-6-4-3-5-7-17)9-15-14(20)16-10-12(21-2)8-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid?
3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid has a molecular weight of 301.39 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid is sourced from PubChem (CID 103159150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).