2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid

C11H22N2O2 — CID 66565594

IUPAC2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)[C@H]1CCCN(C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)13(8-11(14)15)10-5-4-6-12(3)7-10/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyPGBPRVGAGWKUNP-JTQLQIEISA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds4

About 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid

2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid (PubChem CID 66565594) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
PubChem CID66565594
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)[C@H]1CCCN(C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)13(8-11(14)15)10-5-4-6-12(3)7-10/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyPGBPRVGAGWKUNP-JTQLQIEISA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565402
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol
CID 66565655
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid
CID 65056706
2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
CID 66565766
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
CID 62546054
2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid
CID 65087703
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid
CID 66565601
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid (CID 66565594) is 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)[C@H]1CCCN(C)C1.
What is the InChIKey of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
The InChIKey is PGBPRVGAGWKUNP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)13(8-11(14)15)10-5-4-6-12(3)7-10/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 66565594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).