1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate

C9H16N2O3 — CID 7219922

IUPAC1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate
SMILESNC(=O)CC[NH+]1CCC(C(=O)[O-])CC1
InChIInChI=1S/C9H16N2O3/c10-8(12)3-6-11-4-1-7(2-5-11)9(13)14/h7H,1-6H2,(H2,10,12)(H,13,14)
InChIKeyQLDBUSWOBFBPKB-UHFFFAOYSA-N
MW200.24 g/mol
LogP-3.09
Rot. Bonds4

About 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate

1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate (PubChem CID 7219922) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate
PubChem CID7219922
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate
SMILESNC(=O)CC[NH+]1CCC(C(=O)[O-])CC1
InChIInChI=1S/C9H16N2O3/c10-8(12)3-6-11-4-1-7(2-5-11)9(13)14/h7H,1-6H2,(H2,10,12)(H,13,14)
InChIKeyQLDBUSWOBFBPKB-UHFFFAOYSA-N
XLogP-3.09
TPSA87.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylpiperidin-1-ium-4-carboxylate
CID 26667114
trisodium;cyclopropanecarboxylate
CID 141381064
1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-4-carboxylate
CID 39356996
azaniumylmethylazanium;cyclohexane-1,4-dicarboxylate
CID 163546448
3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate
CID 7023645
1-pentylpiperidin-1-ium-4-carboxamide
CID 86308802
cyclotetradecanecarboxylate
CID 140590492
azanium cyclobutanecarboxylate
CID 160775595
3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate
CID 7059197
1-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxylate
CID 7081646
1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 7048381
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate?
The IUPAC name of 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate (CID 7219922) is 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate is NC(=O)CC[NH+]1CCC(C(=O)[O-])CC1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate?
The InChIKey is QLDBUSWOBFBPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-8(12)3-6-11-4-1-7(2-5-11)9(13)14/h7H,1-6H2,(H2,10,12)(H,13,14).
What are the key properties of 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate?
1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 7219922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).