2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate

C11H22N3O3+ — CID 167314662

IUPAC2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate
SMILESCC(C)(OC(=O)CNC(N)=O)C1CC[NH2+]CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,8-3-5-13-6-4-8)17-9(15)7-14-10(12)16/h8,13H,3-7H2,1-2H3,(H3,12,14,16)/p+1
InChIKeyBOQUVWWXEPMSFU-UHFFFAOYSA-O
MW244.31 g/mol
LogP-1.05
Rot. Bonds4

About 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate

2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate (PubChem CID 167314662) has the molecular formula C11H22N3O3+ and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate.

Molecular Properties

Compound Name2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate
PubChem CID167314662
Molecular FormulaC11H22N3O3+
Molecular Weight244.31 g/mol
Exact Mass244.17
IUPAC Name2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate
SMILESCC(C)(OC(=O)CNC(N)=O)C1CC[NH2+]CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,8-3-5-13-6-4-8)17-9(15)7-14-10(12)16/h8,13H,3-7H2,1-2H3,(H3,12,14,16)/p+1
InChIKeyBOQUVWWXEPMSFU-UHFFFAOYSA-O
XLogP-1.05
TPSA98.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-ium-4-ylpropan-2-yl butanoate
CID 167316100
2-piperidin-1-ium-4-ylpropan-2-yl 2-iodoacetate
CID 162508102
2-piperidin-1-ium-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-1-ium-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 167315041
2-piperidin-1-ium-4-ylpropan-2-yl 5-chloropentanoate
CID 167315279
2-piperidin-1-ium-4-ylpropan-2-yl 8-bromooctanoate
CID 167315242
2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate
CID 167315003
2-piperidin-1-ium-4-ylpropan-2-yl 2-[(3-methylbenzoyl)amino]acetate
CID 167315044
2-piperidin-1-ium-4-ylpropan-2-yl 3-methylpentanoate
CID 167315018
2-piperidin-1-ium-4-ylpropan-2-yl 2-chloropropanoate
CID 167316442
2-piperidin-1-ium-4-ylpropan-2-yl 2-[3-[2-oxo-2-(2-piperidin-1-ium-4-ylpropan-2-yloxy)ethyl]phenyl]acetate
CID 167314913
2-piperidin-1-ium-4-ylpropan-2-yl 4-(4-chlorophenyl)-4-oxobutanoate
CID 167315647
2-piperidin-1-ium-4-ylpropan-2-yl 2-hydroxy-4-methylpentanoate
CID 167315060

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate?
The IUPAC name of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate (CID 167314662) is 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate.
What is the SMILES notation for 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate?
The canonical SMILES for 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate is CC(C)(OC(=O)CNC(N)=O)C1CC[NH2+]CC1.
What is the InChIKey of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate?
The InChIKey is BOQUVWWXEPMSFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,8-3-5-13-6-4-8)17-9(15)7-14-10(12)16/h8,13H,3-7H2,1-2H3,(H3,12,14,16)/p+1.
What are the key properties of 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate?
2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate has a molecular weight of 244.31 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate is sourced from PubChem (CID 167314662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).