1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

C10H19N3O3 — CID 104597979

IUPAC1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCCN
InChIInChI=1S/C10H19N3O3/c1-10(8(14)15)4-2-3-7-13(10)9(16)12-6-5-11/h2-7,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyUAMIBCKWLQISSD-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.02
Rot. Bonds3

About 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597979) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104597979
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCCN
InChIInChI=1S/C10H19N3O3/c1-10(8(14)15)4-2-3-7-13(10)9(16)12-6-5-11/h2-7,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyUAMIBCKWLQISSD-UHFFFAOYSA-N
XLogP-0.02
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701
1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106341166

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (CID 104597979) is 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)NCCN.
What is the InChIKey of 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is UAMIBCKWLQISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(8(14)15)4-2-3-7-13(10)9(16)12-6-5-11/h2-7,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).