3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid

C14H25N3O3 — CID 83996834

IUPAC3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
SMILESNC(=O)CN1CC(CCC(=O)O)CC(NCC2CC2)C1
InChIInChI=1S/C14H25N3O3/c15-13(18)9-17-7-11(3-4-14(19)20)5-12(8-17)16-6-10-1-2-10/h10-12,16H,1-9H2,(H2,15,18)(H,19,20)
InChIKeyHGEKFGIDYLGLAZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.03
Rot. Bonds8

About 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid

3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid (PubChem CID 83996834) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
PubChem CID83996834
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
SMILESNC(=O)CN1CC(CCC(=O)O)CC(NCC2CC2)C1
InChIInChI=1S/C14H25N3O3/c15-13(18)9-17-7-11(3-4-14(19)20)5-12(8-17)16-6-10-1-2-10/h10-12,16H,1-9H2,(H2,15,18)(H,19,20)
InChIKeyHGEKFGIDYLGLAZ-UHFFFAOYSA-N
XLogP0.03
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide
CID 83998219
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetamide
CID 83998206
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
CID 83994612
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid (CID 83996834) is 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid is NC(=O)CN1CC(CCC(=O)O)CC(NCC2CC2)C1.
What is the InChIKey of 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid?
The InChIKey is HGEKFGIDYLGLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-13(18)9-17-7-11(3-4-14(19)20)5-12(8-17)16-6-10-1-2-10/h10-12,16H,1-9H2,(H2,15,18)(H,19,20).
What are the key properties of 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid?
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83996834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).