3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid

C14H26N2O3 — CID 62627528

IUPAC3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
SMILESCC(C)NC(=O)CCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-11(2)15-13(17)7-10-16-8-5-12(6-9-16)3-4-14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFZEQSJPILJQYHW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds7

About 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid

3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid (PubChem CID 62627528) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
PubChem CID62627528
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
SMILESCC(C)NC(=O)CCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-11(2)15-13(17)7-10-16-8-5-12(6-9-16)3-4-14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFZEQSJPILJQYHW-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid
CID 64616093
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95338932
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735
4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
CID 55176993
3-[3-[3-oxo-3-(propan-2-ylamino)propyl]sulfanylpiperidin-1-yl]propanoic acid
CID 84755207
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid
CID 146107417
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid (CID 62627528) is 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid is CC(C)NC(=O)CCN1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid?
The InChIKey is FZEQSJPILJQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)15-13(17)7-10-16-8-5-12(6-9-16)3-4-14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid?
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62627528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).