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

C12H18N4O3 — CID 104894143

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCC(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-16-3-2-8(6-16)11(17)15-10(12(18)19)4-9-5-13-7-14-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,14)(H,15,17)(H,18,19)/t8?,10-/m1/s1
InChIKeyGENQXHZVZPDSRK-LHIURRSHSA-N
MW266.30 g/mol
LogP-0.53
Rot. Bonds5

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

(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 104894143) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID104894143
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCC(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-16-3-2-8(6-16)11(17)15-10(12(18)19)4-9-5-13-7-14-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,14)(H,15,17)(H,18,19)/t8?,10-/m1/s1
InChIKeyGENQXHZVZPDSRK-LHIURRSHSA-N
XLogP-0.53
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
2-[(3-aminocyclohexanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 76985665
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895317
3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 114010399
(2R)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895160
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62063812
3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
CID 76895478
(2S)-2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61189713
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62944009
3-(1H-imidazol-5-yl)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83018028
3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188935

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 104894143) is (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid is CN1CCC(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)C1.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is GENQXHZVZPDSRK-LHIURRSHSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16-3-2-8(6-16)11(17)15-10(12(18)19)4-9-5-13-7-14-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,14)(H,15,17)(H,18,19)/t8?,10-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104894143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).