3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid

C14H24N2O3 — CID 102779251

IUPAC3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC1CCNC1C(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-6-7-15-13(10)14(19)16-8-2-3-11(9-16)4-5-12(17)18/h10-11,13,15H,2-9H2,1H3,(H,17,18)
InChIKeyWXJDGGLUICWKMV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds4

About 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 102779251) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID102779251
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC1CCNC1C(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-6-7-15-13(10)14(19)16-8-2-3-11(9-16)4-5-12(17)18/h10-11,13,15H,2-9H2,1H3,(H,17,18)
InChIKeyWXJDGGLUICWKMV-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102780010
3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 115867224
3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
CID 107067784
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129468511
N-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 102778694
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 120536477

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid (CID 102779251) is 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid is CC1CCNC1C(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is WXJDGGLUICWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-6-7-15-13(10)14(19)16-8-2-3-11(9-16)4-5-12(17)18/h10-11,13,15H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 102779251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).