3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid

C15H25NO4 — CID 129468511

IUPAC3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCO1
InChIInChI=1S/C15H25NO4/c1-11-9-13(6-8-20-11)15(19)16-7-2-3-12(10-16)4-5-14(17)18/h11-13H,2-10H2,1H3,(H,17,18)/t11-,12+,13+/m1/s1
InChIKeyIVNCLHSPEGZRHN-AGIUHOORSA-N
MW283.37 g/mol
LogP1.90
Rot. Bonds4

About 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid

3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid (PubChem CID 129468511) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid
PubChem CID129468511
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCO1
InChIInChI=1S/C15H25NO4/c1-11-9-13(6-8-20-11)15(19)16-7-2-3-12(10-16)4-5-14(17)18/h11-13H,2-10H2,1H3,(H,17,18)/t11-,12+,13+/m1/s1
InChIKeyIVNCLHSPEGZRHN-AGIUHOORSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid with MolForge

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Related Compounds

3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 65062149
3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83193168
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124517290
3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
CID 119758308
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 120536477
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
3-[(3S)-1-[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 124845910
3-[(3S)-1-[(1S,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 124700651

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid (CID 129468511) is 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid is C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCO1.
What is the InChIKey of 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid?
The InChIKey is IVNCLHSPEGZRHN-AGIUHOORSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-9-13(6-8-20-11)15(19)16-7-2-3-12(10-16)4-5-14(17)18/h11-13H,2-10H2,1H3,(H,17,18)/t11-,12+,13+/m1/s1.
What are the key properties of 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid?
3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 129468511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).