3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid

C14H24N2O3 — CID 62216026

IUPAC3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CCNC1CC1
InChIInChI=1S/C14H24N2O3/c17-13(8-9-15-11-4-5-11)16-10-2-1-3-12(16)6-7-14(18)19/h11-12,15H,1-10H2,(H,18,19)
InChIKeyGKKWATYLQLMNQP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.37
Rot. Bonds7

About 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid

3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid (PubChem CID 62216026) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid
PubChem CID62216026
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CCNC1CC1
InChIInChI=1S/C14H24N2O3/c17-13(8-9-15-11-4-5-11)16-10-2-1-3-12(16)6-7-14(18)19/h11-12,15H,1-10H2,(H,18,19)
InChIKeyGKKWATYLQLMNQP-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
CID 124699624
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62215893
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
3-[(2S)-1-[2-(thian-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 124596541
tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97173194
3-[1-[2-(cyanomethylsulfanyl)acetyl]piperidin-2-yl]propanoic acid
CID 62216603
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid (CID 62216026) is 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)CCNC1CC1.
What is the InChIKey of 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is GKKWATYLQLMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(8-9-15-11-4-5-11)16-10-2-1-3-12(16)6-7-14(18)19/h11-12,15H,1-10H2,(H,18,19).
What are the key properties of 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid?
3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).