1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid

C10H18N4O4 — CID 83113986

IUPAC1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESNC(=O)NCCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H18N4O4/c11-9(17)12-3-4-13-10(18)14-5-1-2-7(6-14)8(15)16/h7H,1-6H2,(H,13,18)(H,15,16)(H3,11,12,17)
InChIKeyGUTTZKIQHZGOFK-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.84
Rot. Bonds4

About 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid

1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 83113986) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID83113986
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESNC(=O)NCCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H18N4O4/c11-9(17)12-3-4-13-10(18)14-5-1-2-7(6-14)8(15)16/h7H,1-6H2,(H,13,18)(H,15,16)(H3,11,12,17)
InChIKeyGUTTZKIQHZGOFK-UHFFFAOYSA-N
XLogP-0.84
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
(3R)-1-(pent-4-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 106222833
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 83113986) is 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid is NC(=O)NCCNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is GUTTZKIQHZGOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c11-9(17)12-3-4-13-10(18)14-5-1-2-7(6-14)8(15)16/h7H,1-6H2,(H,13,18)(H,15,16)(H3,11,12,17).
What are the key properties of 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 83113986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).