1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid

C9H16N2O3 — CID 3159682

IUPAC1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid
SMILESNC(=O)CCN1CCC(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-0.34
Rot. Bonds4

About 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid

1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid (PubChem CID 3159682) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid
PubChem CID3159682
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid
SMILESNC(=O)CCN1CCC(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-0.34
TPSA83.63 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 ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid (CID 3159682) is 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid is NC(=O)CCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid?
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)piperidine-4-carboxylic acid?
1-(3-amino-3-oxopropyl)piperidine-4-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 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)piperidine-4-carboxylic acid is sourced from PubChem (CID 3159682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).