2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid

C13H24N2O3 — CID 62691166

IUPAC2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
SMILESCC(C)NCCC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-6-5-12(16)15-7-3-4-11(9-15)8-13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyCXFORBNPDXOZFD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid

2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid (PubChem CID 62691166) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
PubChem CID62691166
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
SMILESCC(C)NCCC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-6-5-12(16)15-7-3-4-11(9-15)8-13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyCXFORBNPDXOZFD-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 112625056
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
1-(4-methylsulfanylazepan-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 114237053
2-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]acetic acid
CID 62669859

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid (CID 62691166) is 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid is CC(C)NCCC(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid?
The InChIKey is CXFORBNPDXOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)14-6-5-12(16)15-7-3-4-11(9-15)8-13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid?
2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62691166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).