2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid

C12H23NO3 — CID 56718760

IUPAC2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid
SMILESCC(C)CC1(CO)CCCN(CC(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-10(2)6-12(9-14)4-3-5-13(8-12)7-11(15)16/h10,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMXXPXCIZHJFOLP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.19
Rot. Bonds5

About 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid

2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid (PubChem CID 56718760) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid
PubChem CID56718760
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid
SMILESCC(C)CC1(CO)CCCN(CC(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-10(2)6-12(9-14)4-3-5-13(8-12)7-11(15)16/h10,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMXXPXCIZHJFOLP-UHFFFAOYSA-N
XLogP1.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 83821336
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide
CID 97131483
2-[4,8-bis(carboxymethyl)-11-(2-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 91490050
2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid
CID 62823989
2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 97152457
2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 72931753
2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 129117851
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395843
3-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]propanoic acid
CID 97125742
2-[5-(carboxymethyl)-9-(2-oxopropyl)-1,5,9-triazacyclododec-1-yl]acetic acid;ethane
CID 177180510
[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol
CID 56702001

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid (CID 56718760) is 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid is CC(C)CC1(CO)CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid?
The InChIKey is MXXPXCIZHJFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)6-12(9-14)4-3-5-13(8-12)7-11(15)16/h10,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid?
2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid has a molecular weight of 229.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 56718760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).