2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid

C13H24N2O3 — CID 62689121

IUPAC2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCCN(C(=O)N1CCCC(CC(=O)O)C1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-4-15(10(2)3)13(18)14-7-5-6-11(9-14)8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyADSXYDBAEIIFAH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds4

About 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid

2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62689121) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID62689121
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCCN(C(=O)N1CCCC(CC(=O)O)C1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-4-15(10(2)3)13(18)14-7-5-6-11(9-14)8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyADSXYDBAEIIFAH-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[cyclopentyl(ethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691355
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
2-[1-[butan-2-yl(ethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618614
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62691166
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
CID 106587984
2-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]acetic acid
CID 62669859
2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 63209312
2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62676642

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid (CID 62689121) is 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid is CCN(C(=O)N1CCCC(CC(=O)O)C1)C(C)C.
What is the InChIKey of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is ADSXYDBAEIIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(10(2)3)13(18)14-7-5-6-11(9-14)8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).