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

C12H22N2O2 — CID 83989945

IUPAC2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
SMILESCNC1CC(CC(=O)O)CN(CC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-11-4-10(5-12(15)16)7-14(8-11)6-9-2-3-9/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyPKJZAHBKZOOSOW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.78
Rot. Bonds5

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

2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid (PubChem CID 83989945) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
PubChem CID83989945
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
SMILESCNC1CC(CC(=O)O)CN(CC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-11-4-10(5-12(15)16)7-14(8-11)6-9-2-3-9/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyPKJZAHBKZOOSOW-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
CID 83994612
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid (CID 83989945) is 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid is CNC1CC(CC(=O)O)CN(CC2CC2)C1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
The InChIKey is PKJZAHBKZOOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-11-4-10(5-12(15)16)7-14(8-11)6-9-2-3-9/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83989945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).