1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

C11H21N3O3 — CID 114425520

IUPAC1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCCN)C(C(=O)O)C1
InChIInChI=1S/C11H21N3O3/c1-8-3-6-14(9(7-8)10(15)16)11(17)13-5-2-4-12/h8-9H,2-7,12H2,1H3,(H,13,17)(H,15,16)
InChIKeyLMTYGCPIGZMQBO-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.23
Rot. Bonds4

About 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425520) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425520
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCCN)C(C(=O)O)C1
InChIInChI=1S/C11H21N3O3/c1-8-3-6-14(9(7-8)10(15)16)11(17)13-5-2-4-12/h8-9H,2-7,12H2,1H3,(H,13,17)(H,15,16)
InChIKeyLMTYGCPIGZMQBO-UHFFFAOYSA-N
XLogP0.23
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (CID 114425520) is 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NCCCN)C(C(=O)O)C1.
What is the InChIKey of 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is LMTYGCPIGZMQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8-3-6-14(9(7-8)10(15)16)11(17)13-5-2-4-12/h8-9H,2-7,12H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).