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

C13H23N3O4 — CID 62216173

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

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

3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid (PubChem CID 62216173) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
PubChem CID62216173
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
SMILESCNC(=O)NC(=O)C(C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(12(19)15-13(20)14-2)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19,20)
InChIKeyRIFLKCCRVGGQOM-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216175
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62210820
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 42955074
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 63761122
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735
2-(4-amino-3-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 79867465
[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
CID 163537220
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid (CID 62216173) is 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid is CNC(=O)NC(=O)C(C)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
The InChIKey is RIFLKCCRVGGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(12(19)15-13(20)14-2)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19,20).
What are the key properties of 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]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 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).