2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid

C12H22N2O5S — CID 62690799

IUPAC2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
SMILESNC(=O)CCS(=O)(=O)CCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O5S/c13-11(15)3-6-20(18,19)7-5-14-4-1-2-10(9-14)8-12(16)17/h10H,1-9H2,(H2,13,15)(H,16,17)
InChIKeyPZLZDAPGSCBLQZ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.54
Rot. Bonds8

About 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid

2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid (PubChem CID 62690799) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
PubChem CID62690799
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
SMILESNC(=O)CCS(=O)(=O)CCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O5S/c13-11(15)3-6-20(18,19)7-5-14-4-1-2-10(9-14)8-12(16)17/h10H,1-9H2,(H2,13,15)(H,16,17)
InChIKeyPZLZDAPGSCBLQZ-UHFFFAOYSA-N
XLogP-0.54
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 62370835
3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
CID 68709746
3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
CID 79994515
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid (CID 62690799) is 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid is NC(=O)CCS(=O)(=O)CCN1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid?
The InChIKey is PZLZDAPGSCBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c13-11(15)3-6-20(18,19)7-5-14-4-1-2-10(9-14)8-12(16)17/h10H,1-9H2,(H2,13,15)(H,16,17).
What are the key properties of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid?
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid has a molecular weight of 306.38 g/mol, XLogP of -0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).