(2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C15H20N4O4 — CID 10881739

IUPAC(2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCn1cnc2ncccc21)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-15(2,3)23-14(22)18-10(13(20)21)6-8-19-9-17-12-11(19)5-4-7-16-12/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,22)(H,20,21)/t10-/m0/s1
InChIKeyUGPFXONLWDDQML-JTQLQIEISA-N
MW320.35 g/mol
LogP1.80
Rot. Bonds5

About (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 10881739) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID10881739
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name(2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCn1cnc2ncccc21)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-15(2,3)23-14(22)18-10(13(20)21)6-8-19-9-17-12-11(19)5-4-7-16-12/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,22)(H,20,21)/t10-/m0/s1
InChIKeyUGPFXONLWDDQML-JTQLQIEISA-N
XLogP1.80
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid with MolForge

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Related Compounds

4-(3-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 53403784
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163143488
(2S)-3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 121233378
3-(4,5-dimethylimidazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 165495504
3-(2-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79019960
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenoxypentanoic acid
CID 10086647
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]butanoic acid
CID 101030684
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide
CID 172728907

Frequently Asked Questions

What is the IUPAC name of (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 10881739) is (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(C)OC(=O)N[C@@H](CCn1cnc2ncccc21)C(=O)O.
What is the InChIKey of (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is UGPFXONLWDDQML-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O4/c1-15(2,3)23-14(22)18-10(13(20)21)6-8-19-9-17-12-11(19)5-4-7-16-12/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,22)(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 320.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 10881739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).