2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid

C11H21N3O3 — CID 61499964

IUPAC2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
SMILESCC(CN1CCCCC1)NC(=O)NCC(=O)O
InChIInChI=1S/C11H21N3O3/c1-9(8-14-5-3-2-4-6-14)13-11(17)12-7-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyAGYHRUCEKXIURC-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds5

About 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid

2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid (PubChem CID 61499964) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
PubChem CID61499964
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
SMILESCC(CN1CCCCC1)NC(=O)NCC(=O)O
InChIInChI=1S/C11H21N3O3/c1-9(8-14-5-3-2-4-6-14)13-11(17)12-7-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyAGYHRUCEKXIURC-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
(2S)-2-hydroxy-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838972
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 111504674
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
(2S)-3-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475973
4-oxo-4-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 76905443
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid (CID 61499964) is 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid is CC(CN1CCCCC1)NC(=O)NCC(=O)O.
What is the InChIKey of 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid?
The InChIKey is AGYHRUCEKXIURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(8-14-5-3-2-4-6-14)13-11(17)12-7-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid?
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 61499964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).