3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid

C13H24N2O4 — CID 112543061

IUPAC3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NC(=O)OC)C1
InChIInChI=1S/C13H24N2O4/c1-3-6-15-8-10(4-5-12(16)17)7-11(9-15)14-13(18)19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJAVFWCHGSDFQEH-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds6

About 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid

3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid (PubChem CID 112543061) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
PubChem CID112543061
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NC(=O)OC)C1
InChIInChI=1S/C13H24N2O4/c1-3-6-15-8-10(4-5-12(16)17)7-11(9-15)14-13(18)19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJAVFWCHGSDFQEH-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(cyanomethyl)-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543531
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543607
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid (CID 112543061) is 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid is CCCN1CC(CCC(=O)O)CC(NC(=O)OC)C1.
What is the InChIKey of 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid?
The InChIKey is JAVFWCHGSDFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-6-15-8-10(4-5-12(16)17)7-11(9-15)14-13(18)19-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid?
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 112543061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).