methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate

C19H26N4O5 — CID 101410656

IUPACmethyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCOC(=O)CCc1nc2ccccn2c1NC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N4O5/c1-12(20-18(26)28-19(2,3)4)17(25)22-16-13(9-10-15(24)27-5)21-14-8-6-7-11-23(14)16/h6-8,11-12H,9-10H2,1-5H3,(H,20,26)(H,22,25)/t12-/m0/s1
InChIKeySHUCCUKSCVCFBO-LBPRGKRZSA-N
MW390.44 g/mol
LogP2.29
Rot. Bonds6

About methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate

methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (PubChem CID 101410656) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
PubChem CID101410656
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Namemethyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCOC(=O)CCc1nc2ccccn2c1NC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N4O5/c1-12(20-18(26)28-19(2,3)4)17(25)22-16-13(9-10-15(24)27-5)21-14-8-6-7-11-23(14)16/h6-8,11-12H,9-10H2,1-5H3,(H,20,26)(H,22,25)/t12-/m0/s1
InChIKeySHUCCUKSCVCFBO-LBPRGKRZSA-N
XLogP2.29
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The IUPAC name of methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (CID 101410656) is methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The canonical SMILES for methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is COC(=O)CCc1nc2ccccn2c1NC(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The InChIKey is SHUCCUKSCVCFBO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-12(20-18(26)28-19(2,3)4)17(25)22-16-13(9-10-15(24)27-5)21-14-8-6-7-11-23(14)16/h6-8,11-12H,9-10H2,1-5H3,(H,20,26)(H,22,25)/t12-/m0/s1.
What are the key properties of methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate has a molecular weight of 390.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is sourced from PubChem (CID 101410656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).