1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid

C11H21N3O3 — CID 61404205

IUPAC1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
SMILESCNCCCNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-12-6-4-7-13-11(17)14-8-3-2-5-9(14)10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyIIBJMFBYTCFVRD-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds5

About 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid

1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 61404205) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID61404205
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
SMILESCNCCCNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-12-6-4-7-13-11(17)14-8-3-2-5-9(14)10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyIIBJMFBYTCFVRD-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
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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Related Compounds

1-[3-(ethylamino)propylcarbamoyl]azepane-2-carboxylic acid
CID 64562140
1-(3-methylsulfonylpropylcarbamoyl)azepane-2-carboxylic acid
CID 64562929
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468
1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
CID 114239870
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
1-(prop-2-ynylcarbamoyl)azepane-2-carboxylic acid
CID 64563682
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid (CID 61404205) is 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid is CNCCCNC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is IIBJMFBYTCFVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-12-6-4-7-13-11(17)14-8-3-2-5-9(14)10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid?
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61404205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).