2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid

C12H19N3O4 — CID 63660918

IUPAC2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NC1CCC(=O)NC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H19N3O4/c1-12(10(17)18,7-2-3-7)15-11(19)14-8-4-5-9(16)13-6-8/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyNUARLUIGXAPWCU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.18
Rot. Bonds4

About 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid (PubChem CID 63660918) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
PubChem CID63660918
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NC1CCC(=O)NC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H19N3O4/c1-12(10(17)18,7-2-3-7)15-11(19)14-8-4-5-9(16)13-6-8/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyNUARLUIGXAPWCU-UHFFFAOYSA-N
XLogP-0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3,3-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 63661261
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79257016
1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
CID 78916658
2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
CID 63374613
2-hydroxy-N-(6-oxopiperidin-3-yl)-2,2-diphenylacetamide
CID 111102359
4-methyl-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663220
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
N-tert-butyl-2-[(6-oxopiperidin-3-yl)amino]acetamide
CID 63661937
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide
CID 65210017
2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686679

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid (CID 63660918) is 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid is CC(NC(=O)NC1CCC(=O)NC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid?
The InChIKey is NUARLUIGXAPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(10(17)18,7-2-3-7)15-11(19)14-8-4-5-9(16)13-6-8/h7-8H,2-6H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 63660918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).