1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

C10H19N3O3 — CID 63124361

IUPAC1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCN)CC1
InChIInChI=1S/C10H19N3O3/c1-10(8(14)15)2-6-13(7-3-10)9(16)12-5-4-11/h2-7,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyLZDCFRLGACFTDA-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.16
Rot. Bonds3

About 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124361) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124361
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCN)CC1
InChIInChI=1S/C10H19N3O3/c1-10(8(14)15)2-6-13(7-3-10)9(16)12-5-4-11/h2-7,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyLZDCFRLGACFTDA-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 83114282
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55176607
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 106326529
1-(hex-5-ynylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 106215938
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818
1-(2-carbamoyloxyethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 83203614
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
1-(3-imidazol-1-ylpropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123353
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124592

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (CID 63124361) is 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCN)CC1.
What is the InChIKey of 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is LZDCFRLGACFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(8(14)15)2-6-13(7-3-10)9(16)12-5-4-11/h2-7,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).