3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid

C12H19N5O3 — CID 83020220

IUPAC3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid
SMILESO=C(NC(Cc1cnc[nH]1)C(=O)O)NN1CCCCC1
InChIInChI=1S/C12H19N5O3/c18-11(19)10(6-9-7-13-8-14-9)15-12(20)16-17-4-2-1-3-5-17/h7-8,10H,1-6H2,(H,13,14)(H,18,19)(H2,15,16,20)
InChIKeyFETFBWVOSKDEFG-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.11
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid

3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid (PubChem CID 83020220) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid
PubChem CID83020220
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid
SMILESO=C(NC(Cc1cnc[nH]1)C(=O)O)NN1CCCCC1
InChIInChI=1S/C12H19N5O3/c18-11(19)10(6-9-7-13-8-14-9)15-12(20)16-17-4-2-1-3-5-17/h7-8,10H,1-6H2,(H,13,14)(H,18,19)(H2,15,16,20)
InChIKeyFETFBWVOSKDEFG-UHFFFAOYSA-N
XLogP0.11
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-5-yl)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83018028
(2S)-3-(1H-imidazol-5-yl)-2-(piperidine-1-carbonylamino)propanoic acid
CID 61182505
3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188935
(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate
CID 174462509
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylazepane-1-carbonyl)amino]propanoic acid
CID 104895227
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297
CID 162305209
CID 162305209
(2S)-2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61189713

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid (CID 83020220) is 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid is O=C(NC(Cc1cnc[nH]1)C(=O)O)NN1CCCCC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid?
The InChIKey is FETFBWVOSKDEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c18-11(19)10(6-9-7-13-8-14-9)15-12(20)16-17-4-2-1-3-5-17/h7-8,10H,1-6H2,(H,13,14)(H,18,19)(H2,15,16,20).
What are the key properties of 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid?
3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid has a molecular weight of 281.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 83020220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).