3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid

C14H25N3O4 — CID 62210644

IUPAC3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
SMILESCC(C)N(CC(N)=O)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(2)17(9-12(15)18)14(21)16-7-5-11(6-8-16)3-4-13(19)20/h10-11H,3-9H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyVVVASDCMFBKLLY-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.88
Rot. Bonds6

About 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid

3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62210644) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62210644
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
SMILESCC(C)N(CC(N)=O)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(2)17(9-12(15)18)14(21)16-7-5-11(6-8-16)3-4-13(19)20/h10-11H,3-9H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyVVVASDCMFBKLLY-UHFFFAOYSA-N
XLogP0.88
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609
3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
CID 55117201
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 81087927
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 55133656
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62210113
N-(2-amino-2-sulfanylideneethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79160527
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid (CID 62210644) is 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid is CC(C)N(CC(N)=O)C(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is VVVASDCMFBKLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(2)17(9-12(15)18)14(21)16-7-5-11(6-8-16)3-4-13(19)20/h10-11H,3-9H2,1-2H3,(H2,15,18)(H,19,20).
What are the key properties of 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62210644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).