2-(piperidin-4-ylmethylcarbamoylamino)acetic acid

C9H17N3O3 — CID 117234705

IUPAC2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCC1CCNCC1
InChIInChI=1S/C9H17N3O3/c13-8(14)6-12-9(15)11-5-7-1-3-10-4-2-7/h7,10H,1-6H2,(H,13,14)(H2,11,12,15)
InChIKeyCOFJYVYINJINOY-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.63
Rot. Bonds4

About 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid

2-(piperidin-4-ylmethylcarbamoylamino)acetic acid (PubChem CID 117234705) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
PubChem CID117234705
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCC1CCNCC1
InChIInChI=1S/C9H17N3O3/c13-8(14)6-12-9(15)11-5-7-1-3-10-4-2-7/h7,10H,1-6H2,(H,13,14)(H2,11,12,15)
InChIKeyCOFJYVYINJINOY-UHFFFAOYSA-N
XLogP-0.63
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
CID 117234637
1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
3-(pyrrolidin-3-ylmethylcarbamoylamino)propanoic acid
CID 117234624
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
2-oxo-2-(piperidin-4-ylmethylamino)ethanesulfinic acid
CID 84685887
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234379

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid?
The IUPAC name of 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid (CID 117234705) is 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NCC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid?
The InChIKey is COFJYVYINJINOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c13-8(14)6-12-9(15)11-5-7-1-3-10-4-2-7/h7,10H,1-6H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid?
2-(piperidin-4-ylmethylcarbamoylamino)acetic acid has a molecular weight of 215.25 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethylcarbamoylamino)acetic acid is sourced from PubChem (CID 117234705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).