3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid

C13H23N3O4 — CID 62210820

IUPAC3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
SMILESCNC(=O)C(C)NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(12(19)14-2)15-13(20)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyRGPJISYQEGAHLM-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.41
Rot. Bonds5

About 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid

3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62210820) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62210820
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
SMILESCNC(=O)C(C)NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(12(19)14-2)15-13(20)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyRGPJISYQEGAHLM-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62210649
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
CID 163537220
3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216173
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608340
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid (CID 62210820) is 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid is CNC(=O)C(C)NC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is RGPJISYQEGAHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(12(19)14-2)15-13(20)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62210820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).