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

C13H23N3O4 — CID 62211698

IUPAC3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
SMILESCNC(=O)CCNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-14-11(17)4-7-15-13(20)16-8-5-10(6-9-16)2-3-12(18)19/h10H,2-9H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyMPHCJEZVFQWLCJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.41
Rot. Bonds6

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

3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62211698) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62211698
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
SMILESCNC(=O)CCNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-14-11(17)4-7-15-13(20)16-8-5-10(6-9-16)2-3-12(18)19/h10H,2-9H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyMPHCJEZVFQWLCJ-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 113465876
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62210820
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
3-[[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018174
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 114943570
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid (CID 62211698) is 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid is CNC(=O)CCNC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is MPHCJEZVFQWLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-14-11(17)4-7-15-13(20)16-8-5-10(6-9-16)2-3-12(18)19/h10H,2-9H2,1H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62211698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).