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

C12H22N2O3 — CID 66565402

IUPAC2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CCC[C@H](N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)11-5-4-6-13(7-11)10(3)15/h9,11H,4-8H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyPHQWAHQGJISWNT-NSHDSACASA-N
MW242.32 g/mol
LogP0.79
Rot. Bonds4

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

2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid (PubChem CID 66565402) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
PubChem CID66565402
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CCC[C@H](N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)11-5-4-6-13(7-11)10(3)15/h9,11H,4-8H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyPHQWAHQGJISWNT-NSHDSACASA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid
CID 65087703
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
1-[3-[ethyl(propan-2-yl)amino]azetidin-1-yl]ethanone
CID 156837133
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-propan-2-ylamino]acetic acid
CID 65056706
N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide
CID 163781928
2-[(1-acetylpiperidine-3-carbonyl)-tert-butylamino]acetic acid
CID 79265924
2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 66567137
2-[1-azabicyclo[2.2.2]octan-3-yl(propan-2-yl)amino]acetic acid
CID 65056890
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid (CID 66565402) is 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid is CC(=O)N1CCC[C@H](N(CC(=O)O)C(C)C)C1.
What is the InChIKey of 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
The InChIKey is PHQWAHQGJISWNT-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)11-5-4-6-13(7-11)10(3)15/h9,11H,4-8H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid?
2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 66565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).