3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid

C14H25N3O4 — CID 62215903

IUPAC3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
SMILESCC(C)NC(=O)CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(2)16-12(18)9-15-14(21)17-7-5-11(6-8-17)3-4-13(19)20/h10-11H,3-9H2,1-2H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyCVNBCKHMMHQESM-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds6

About 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid

3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62215903) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62215903
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
SMILESCC(C)NC(=O)CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(2)16-12(18)9-15-14(21)17-7-5-11(6-8-17)3-4-13(19)20/h10-11H,3-9H2,1-2H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyCVNBCKHMMHQESM-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
3-[1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62210820
3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
CID 163537220
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62210649
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-propan-2-yloxyethylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 104763771
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 113465876

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid (CID 62215903) is 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid is CC(C)NC(=O)CNC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is CVNBCKHMMHQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(2)16-12(18)9-15-14(21)17-7-5-11(6-8-17)3-4-13(19)20/h10-11H,3-9H2,1-2H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62215903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).