1-(carbamoylamino)piperidine-4-carboxylic acid

C7H13N3O3 — CID 67177905

IUPAC1-(carbamoylamino)piperidine-4-carboxylic acid
SMILESNC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13N3O3/c8-7(13)9-10-3-1-5(2-4-10)6(11)12/h5H,1-4H2,(H,11,12)(H3,8,9,13)
InChIKeyNSVMZGRPVUNDBY-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.63
Rot. Bonds2

About 1-(carbamoylamino)piperidine-4-carboxylic acid

1-(carbamoylamino)piperidine-4-carboxylic acid (PubChem CID 67177905) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(carbamoylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(carbamoylamino)piperidine-4-carboxylic acid
PubChem CID67177905
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name1-(carbamoylamino)piperidine-4-carboxylic acid
SMILESNC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13N3O3/c8-7(13)9-10-3-1-5(2-4-10)6(11)12/h5H,1-4H2,(H,11,12)(H3,8,9,13)
InChIKeyNSVMZGRPVUNDBY-UHFFFAOYSA-N
XLogP-0.63
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(carbamoylamino)piperidine-4-carboxylic acid (CID 67177905) is 1-(carbamoylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(carbamoylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(carbamoylamino)piperidine-4-carboxylic acid is NC(=O)NN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(carbamoylamino)piperidine-4-carboxylic acid?
The InChIKey is NSVMZGRPVUNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-7(13)9-10-3-1-5(2-4-10)6(11)12/h5H,1-4H2,(H,11,12)(H3,8,9,13).
What are the key properties of 1-(carbamoylamino)piperidine-4-carboxylic acid?
1-(carbamoylamino)piperidine-4-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 67177905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).