2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid

C11H19NO2 — CID 96621427

IUPAC2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid
SMILESC[C@@H]1[C@@H](CC(=O)O)CCCN1C1CC1
InChIInChI=1S/C11H19NO2/c1-8-9(7-11(13)14)3-2-6-12(8)10-4-5-10/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyDYLHCULOWVHPCL-RKDXNWHRSA-N
MW197.28 g/mol
LogP1.72
Rot. Bonds3

About 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid

2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid (PubChem CID 96621427) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid
PubChem CID96621427
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid
SMILESC[C@@H]1[C@@H](CC(=O)O)CCCN1C1CC1
InChIInChI=1S/C11H19NO2/c1-8-9(7-11(13)14)3-2-6-12(8)10-4-5-10/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyDYLHCULOWVHPCL-RKDXNWHRSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,3R)-1-cyclopropyl-2-methylpyrrolidin-3-yl]acetic acid
CID 82407111
2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
CID 83846817
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid
CID 96613832
1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
CID 83816133
2-[1-(thian-4-yl)pyrrolidin-2-yl]acetic acid
CID 65068053
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
CID 131186064
[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
CID 96604453
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid
CID 96591939

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid (CID 96621427) is 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid is C[C@@H]1[C@@H](CC(=O)O)CCCN1C1CC1.
What is the InChIKey of 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid?
The InChIKey is DYLHCULOWVHPCL-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-9(7-11(13)14)3-2-6-12(8)10-4-5-10/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid?
2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 96621427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).