2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid

C12H22N2O2 — CID 96554931

IUPAC2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCN(C[C@H]1CCCN(CC(=O)O)C1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-13(11-4-5-11)7-10-3-2-6-14(8-10)9-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyULYAPCMUSYDZBX-SNVBAGLBSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds5

About 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid

2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid (PubChem CID 96554931) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
PubChem CID96554931
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCN(C[C@H]1CCCN(CC(=O)O)C1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-13(11-4-5-11)7-10-3-2-6-14(8-10)9-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyULYAPCMUSYDZBX-SNVBAGLBSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
2-[(3S)-3-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]acetic acid
CID 96553828
2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910
N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916
2-[3-(iodomethyl)piperidin-1-yl]acetic acid
CID 66563796
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554917
N-cyclopropyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 62022148
2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
CID 66567790
2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid (CID 96554931) is 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid is CN(C[C@H]1CCCN(CC(=O)O)C1)C1CC1.
What is the InChIKey of 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid?
The InChIKey is ULYAPCMUSYDZBX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13(11-4-5-11)7-10-3-2-6-14(8-10)9-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid?
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 96554931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).