3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid

C12H22N2O4 — CID 79022757

IUPAC3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
SMILESCC[C@H](N)C(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-10(13)12(17)14-6-3-9(4-7-14)18-8-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyCFYPVMFTSFZDEA-JTQLQIEISA-N
MW258.32 g/mol
LogP0.21
Rot. Bonds6

About 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 79022757) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
PubChem CID79022757
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
SMILESCC[C@H](N)C(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-10(13)12(17)14-6-3-9(4-7-14)18-8-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyCFYPVMFTSFZDEA-JTQLQIEISA-N
XLogP0.21
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(2-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 104517631
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid (CID 79022757) is 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid is CC[C@H](N)C(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is CFYPVMFTSFZDEA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-10(13)12(17)14-6-3-9(4-7-14)18-8-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 79022757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).