(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid

C13H20N4O3 — CID 103870373

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCCNC1
InChIInChI=1S/C13H20N4O3/c1-13(3-2-4-14-7-13)12(20)17-10(11(18)19)5-9-6-15-8-16-9/h6,8,10,14H,2-5,7H2,1H3,(H,15,16)(H,17,20)(H,18,19)/t10-,13?/m1/s1
InChIKeyHMOILHCUEWFGIZ-VUUHIHSGSA-N
MW280.33 g/mol
LogP-0.09
Rot. Bonds5

About (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 103870373) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID103870373
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCCNC1
InChIInChI=1S/C13H20N4O3/c1-13(3-2-4-14-7-13)12(20)17-10(11(18)19)5-9-6-15-8-16-9/h6,8,10,14H,2-5,7H2,1H3,(H,15,16)(H,17,20)(H,18,19)/t10-,13?/m1/s1
InChIKeyHMOILHCUEWFGIZ-VUUHIHSGSA-N
XLogP-0.09
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 107864268
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CID 104894530
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188935
(2S)-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62838893
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
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3-(1H-imidazol-5-yl)-2-[(4-methyloxan-4-yl)carbamoylamino]propanoic acid
CID 104866659
(2R)-3-(1H-imidazol-5-yl)-2-[(4-methyloxan-4-yl)carbamoylamino]propanoic acid
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3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
CID 76895478
(2S)-3-(1H-imidazol-5-yl)-2-(piperidine-1-carbonylamino)propanoic acid
CID 61182505
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid (CID 103870373) is (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid is CC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)CCCNC1.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is HMOILHCUEWFGIZ-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(3-2-4-14-7-13)12(20)17-10(11(18)19)5-9-6-15-8-16-9/h6,8,10,14H,2-5,7H2,1H3,(H,15,16)(H,17,20)(H,18,19)/t10-,13?/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of -0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103870373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).