2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid

C16H30N2O2 — CID 83995994

IUPAC2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
SMILESCC(C)CCNC1CC(CC(=O)O)CN(CC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)5-6-17-15-7-14(8-16(19)20)10-18(11-15)9-13-3-4-13/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyYPOGDTJIPPOKFY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.20
Rot. Bonds8

About 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid

2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid (PubChem CID 83995994) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
PubChem CID83995994
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
SMILESCC(C)CCNC1CC(CC(=O)O)CN(CC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)5-6-17-15-7-14(8-16(19)20)10-18(11-15)9-13-3-4-13/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyYPOGDTJIPPOKFY-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
1-(cyclopropylmethyl)-5-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995984
1-(cyclobutylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996036
1-(cyclopentylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996048
3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
CID 83994612
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid (CID 83995994) is 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid is CC(C)CCNC1CC(CC(=O)O)CN(CC2CC2)C1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid?
The InChIKey is YPOGDTJIPPOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)5-6-17-15-7-14(8-16(19)20)10-18(11-15)9-13-3-4-13/h12-15,17H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid?
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83995994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).