3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid

C11H21N3O3 — CID 83990342

IUPAC3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
SMILESCCNC1CC(CCC(=O)O)CN(C(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-2-13-9-5-8(3-4-10(15)16)6-14(7-9)11(12)17/h8-9,13H,2-7H2,1H3,(H2,12,17)(H,15,16)
InChIKeyVRJJOUPYHXLYAQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.23
Rot. Bonds5

About 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid

3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid (PubChem CID 83990342) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
PubChem CID83990342
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
SMILESCCNC1CC(CCC(=O)O)CN(C(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-2-13-9-5-8(3-4-10(15)16)6-14(7-9)11(12)17/h8-9,13H,2-7H2,1H3,(H2,12,17)(H,15,16)
InChIKeyVRJJOUPYHXLYAQ-UHFFFAOYSA-N
XLogP0.23
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
CID 83995064
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83990429
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953

Frequently Asked Questions

What is the IUPAC name of 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid (CID 83990342) is 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid is CCNC1CC(CCC(=O)O)CN(C(N)=O)C1.
What is the InChIKey of 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid?
The InChIKey is VRJJOUPYHXLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-13-9-5-8(3-4-10(15)16)6-14(7-9)11(12)17/h8-9,13H,2-7H2,1H3,(H2,12,17)(H,15,16).
What are the key properties of 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid?
3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83990342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).