methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate

C14H14F2N4O4 — CID 136588705

IUPACmethyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(OC(F)F)cn1
InChIInChI=1S/C14H14F2N4O4/c1-23-13(22)11(4-8-5-17-7-19-8)20-12(21)10-3-2-9(6-18-10)24-14(15)16/h2-3,5-7,11,14H,4H2,1H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyVNYOHHIDKGXPCO-LLVKDONJSA-N
MW340.29 g/mol
LogP0.92
Rot. Bonds7

About methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate

methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate (PubChem CID 136588705) has the molecular formula C14H14F2N4O4 and a molecular weight of 340.29 g/mol. Its IUPAC name is methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
PubChem CID136588705
Molecular FormulaC14H14F2N4O4
Molecular Weight340.29 g/mol
Exact Mass340.10
IUPAC Namemethyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(OC(F)F)cn1
InChIInChI=1S/C14H14F2N4O4/c1-23-13(22)11(4-8-5-17-7-19-8)20-12(21)10-3-2-9(6-18-10)24-14(15)16/h2-3,5-7,11,14H,4H2,1H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyVNYOHHIDKGXPCO-LLVKDONJSA-N
XLogP0.92
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[(5-chloropyridine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 103874668
methyl (2R)-2-[(5-ethynylpyridine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 176830997
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
methyl (2S)-2-[(2-fluoropyridine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 103863386
methyl (2S)-3-(1H-imidazol-5-yl)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 141093613
methyl 3-(1H-imidazol-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 550126
methyl (2S)-2-(difluoromethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate
CID 114011824
[3-[[(2R)-3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-1,2,4-triazin-6-yl]-methylidyneazanium
CID 176831046
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
methyl (2S)-3-(1H-imidazol-5-yl)-2-(propan-2-ylcarbamoylamino)propanoate
CID 107876561
methyl (2S)-2-(dimethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876560
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 164773846

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate (CID 136588705) is methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate is COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(OC(F)F)cn1.
What is the InChIKey of methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is VNYOHHIDKGXPCO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14F2N4O4/c1-23-13(22)11(4-8-5-17-7-19-8)20-12(21)10-3-2-9(6-18-10)24-14(15)16/h2-3,5-7,11,14H,4H2,1H3,(H,17,19)(H,20,21)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate?
methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 340.29 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[5-(difluoromethoxy)pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 136588705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).